10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-3-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[7-(1,10-phenanthrolin-4-yl)triphenylen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

C312H193N19 — CID 164958798

IUPAC10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-3-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[7-(1,10-phenanthrolin-4-yl)triphenylen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc(-c7nc8ccccc8c8cc9c(cc78)-c7ccccc7C9(c7ccccc7)c7ccccc7)c6)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc(-c7nc8ccccc8c8cc9c(cc78)-c7ccccc7C9(c7ccccc7)c7ccccc7)c6)cn5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc(-c7nc8ccccc8c8cc9c(cc78)-c7ccccc7C9(c7ccccc7)c7ccccc7)c6)nc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccnc(-c6cccc(-c7nc8ccccc8c8cc9c(cc78)-c7ccccc7C9(c7ccccc7)c7ccccc7)c6)n5)nc4c3n2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ccc7c8ccc(-c9ccnc%10c9ccc9cccnc9%10)cc8c8ccccc8c7c6)cc5)nc5ccccc5c4cc32)cc1
InChIInChI=1S/C68H41N3.C62H39N3.2C61H38N4.C60H37N5/c1-3-15-47(16-4-1)68(48-17-5-2-6-18-48)62-23-11-9-21-54(62)60-40-61-59(41-63(60)68)55-22-10-12-24-64(55)71-65(61)44-27-25-42(26-28-44)45-30-32-52-53-33-31-46(39-58(53)51-20-8-7-19-50(51)57(52)38-45)49-35-37-70-67-56(49)34-29-43-14-13-36-69-66(43)67;1-4-15-41(16-5-1)56-35-33-43-31-32-44-34-36-57(64-61(44)60(43)63-56)42-29-27-40(28-30-42)45-17-14-18-46(37-45)59-53-38-52-49-23-10-12-25-54(49)62(47-19-6-2-7-20-47,48-21-8-3-9-22-48)55(52)39-51(53)50-24-11-13-26-58(50)65-59;1-4-15-39(16-5-1)55-33-29-40-27-28-41-30-34-56(64-60(41)59(40)63-55)44-31-32-54(62-38-44)42-17-14-18-43(35-42)58-51-36-50-47-23-10-12-25-52(47)61(45-19-6-2-7-20-45,46-21-8-3-9-22-46)53(50)37-49(51)48-24-11-13-26-57(48)65-58;1-4-15-39(16-5-1)54-32-29-40-27-28-41-30-34-57(65-60(41)59(40)63-54)56-33-31-44(38-62-56)42-17-14-18-43(35-42)58-51-36-50-47-23-10-12-25-52(47)61(45-19-6-2-7-20-45,46-21-8-3-9-22-46)53(50)37-49(51)48-24-11-13-26-55(48)64-58;1-4-15-38(16-5-1)52-31-29-39-27-28-40-30-32-54(64-58(40)57(39)62-52)55-33-34-61-59(65-55)42-18-14-17-41(35-42)56-49-36-48-45-23-10-12-25-50(45)60(43-19-6-2-7-20-43,44-21-8-3-9-22-44)51(48)37-47(49)46-24-11-13-26-53(46)63-56/h1-41H;1-39H;2*1-38H;1-37H
InChIKeyBNRUFCMQDVDVSP-UHFFFAOYSA-N
MW4208.11 g/mol
LogP76.95
Rot. Bonds29

About 10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-3-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[7-(1,10-phenanthrolin-4-yl)triphenylen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene

10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-3-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[7-(1,10-phenanthrolin-4-yl)triphenylen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (PubChem CID 164958798) has the molecular formula C312H193N19 and a molecular weight of 4208.11 g/mol. Its IUPAC name is 10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-3-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[7-(1,10-phenanthrolin-4-yl)triphenylen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.

Molecular Properties

Compound Name10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-3-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[7-(1,10-phenanthrolin-4-yl)triphenylen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
PubChem CID164958798
Molecular FormulaC312H193N19
Molecular Weight4208.11 g/mol
Exact Mass4204.57
IUPAC Name10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-3-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[7-(1,10-phenanthrolin-4-yl)triphenylen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
SMILESc1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc(-c7nc8ccccc8c8cc9c(cc78)-c7ccccc7C9(c7ccccc7)c7ccccc7)c6)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc(-c7nc8ccccc8c8cc9c(cc78)-c7ccccc7C9(c7ccccc7)c7ccccc7)c6)cn5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc(-c7nc8ccccc8c8cc9c(cc78)-c7ccccc7C9(c7ccccc7)c7ccccc7)c6)nc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccnc(-c6cccc(-c7nc8ccccc8c8cc9c(cc78)-c7ccccc7C9(c7ccccc7)c7ccccc7)c6)n5)nc4c3n2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ccc7c8ccc(-c9ccnc%10c9ccc9cccnc9%10)cc8c8ccccc8c7c6)cc5)nc5ccccc5c4cc32)cc1
InChIInChI=1S/C68H41N3.C62H39N3.2C61H38N4.C60H37N5/c1-3-15-47(16-4-1)68(48-17-5-2-6-18-48)62-23-11-9-21-54(62)60-40-61-59(41-63(60)68)55-22-10-12-24-64(55)71-65(61)44-27-25-42(26-28-44)45-30-32-52-53-33-31-46(39-58(53)51-20-8-7-19-50(51)57(52)38-45)49-35-37-70-67-56(49)34-29-43-14-13-36-69-66(43)67;1-4-15-41(16-5-1)56-35-33-43-31-32-44-34-36-57(64-61(44)60(43)63-56)42-29-27-40(28-30-42)45-17-14-18-46(37-45)59-53-38-52-49-23-10-12-25-54(49)62(47-19-6-2-7-20-47,48-21-8-3-9-22-48)55(52)39-51(53)50-24-11-13-26-58(50)65-59;1-4-15-39(16-5-1)55-33-29-40-27-28-41-30-34-56(64-60(41)59(40)63-55)44-31-32-54(62-38-44)42-17-14-18-43(35-42)58-51-36-50-47-23-10-12-25-52(47)61(45-19-6-2-7-20-45,46-21-8-3-9-22-46)53(50)37-49(51)48-24-11-13-26-57(48)65-58;1-4-15-39(16-5-1)54-32-29-40-27-28-41-30-34-57(65-60(41)59(40)63-54)56-33-31-44(38-62-56)42-17-14-18-43(35-42)58-51-36-50-47-23-10-12-25-52(47)61(45-19-6-2-7-20-45,46-21-8-3-9-22-46)53(50)37-49(51)48-24-11-13-26-55(48)64-58;1-4-15-38(16-5-1)52-31-29-39-27-28-40-30-32-54(64-58(40)57(39)62-52)55-33-34-61-59(65-55)42-18-14-17-41(35-42)56-49-36-48-45-23-10-12-25-50(45)60(43-19-6-2-7-20-43,44-21-8-3-9-22-44)51(48)37-47(49)46-24-11-13-26-53(46)63-56/h1-41H;1-39H;2*1-38H;1-37H
InChIKeyBNRUFCMQDVDVSP-UHFFFAOYSA-N
XLogP76.95
TPSA244.91 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds29
Heavy Atoms331
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004208.11
LogP ≤ 576.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-3-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[7-(1,10-phenanthrolin-4-yl)triphenylen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-3-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[7-(1,10-phenanthrolin-4-yl)triphenylen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The IUPAC name of 10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-3-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[7-(1,10-phenanthrolin-4-yl)triphenylen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene (CID 164958798) is 10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-3-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[7-(1,10-phenanthrolin-4-yl)triphenylen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene.
What is the SMILES notation for 10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-3-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[7-(1,10-phenanthrolin-4-yl)triphenylen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The canonical SMILES for 10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-3-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[7-(1,10-phenanthrolin-4-yl)triphenylen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc(-c7nc8ccccc8c8cc9c(cc78)-c7ccccc7C9(c7ccccc7)c7ccccc7)c6)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc(-c7nc8ccccc8c8cc9c(cc78)-c7ccccc7C9(c7ccccc7)c7ccccc7)c6)cn5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6cccc(-c7nc8ccccc8c8cc9c(cc78)-c7ccccc7C9(c7ccccc7)c7ccccc7)c6)nc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccnc(-c6cccc(-c7nc8ccccc8c8cc9c(cc78)-c7ccccc7C9(c7ccccc7)c7ccccc7)c6)n5)nc4c3n2)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3cc4c(-c5ccc(-c6ccc7c8ccc(-c9ccnc%10c9ccc9cccnc9%10)cc8c8ccccc8c7c6)cc5)nc5ccccc5c4cc32)cc1.
What is the InChIKey of 10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-3-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[7-(1,10-phenanthrolin-4-yl)triphenylen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
The InChIKey is BNRUFCMQDVDVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H41N3.C62H39N3.2C61H38N4.C60H37N5/c1-3-15-47(16-4-1)68(48-17-5-2-6-18-48)62-23-11-9-21-54(62)60-40-61-59(41-63(60)68)55-22-10-12-24-64(55)71-65(61)44-27-25-42(26-28-44)45-30-32-52-53-33-31-46(39-58(53)51-20-8-7-19-50(51)57(52)38-45)49-35-37-70-67-56(49)34-29-43-14-13-36-69-66(43)67;1-4-15-41(16-5-1)56-35-33-43-31-32-44-34-36-57(64-61(44)60(43)63-56)42-29-27-40(28-30-42)45-17-14-18-46(37-45)59-53-38-52-49-23-10-12-25-54(49)62(47-19-6-2-7-20-47,48-21-8-3-9-22-48)55(52)39-51(53)50-24-11-13-26-58(50)65-59;1-4-15-39(16-5-1)55-33-29-40-27-28-41-30-34-56(64-60(41)59(40)63-55)44-31-32-54(62-38-44)42-17-14-18-43(35-42)58-51-36-50-47-23-10-12-25-52(47)61(45-19-6-2-7-20-45,46-21-8-3-9-22-46)53(50)37-49(51)48-24-11-13-26-57(48)65-58;1-4-15-39(16-5-1)54-32-29-40-27-28-41-30-34-57(65-60(41)59(40)63-54)56-33-31-44(38-62-56)42-17-14-18-43(35-42)58-51-36-50-47-23-10-12-25-52(47)61(45-19-6-2-7-20-45,46-21-8-3-9-22-46)53(50)37-49(51)48-24-11-13-26-55(48)64-58;1-4-15-38(16-5-1)52-31-29-39-27-28-40-30-32-54(64-58(40)57(39)62-52)55-33-34-61-59(65-55)42-18-14-17-41(35-42)56-49-36-48-45-23-10-12-25-50(45)60(43-19-6-2-7-20-43,44-21-8-3-9-22-44)51(48)37-47(49)46-24-11-13-26-53(46)63-56/h1-41H;1-39H;2*1-38H;1-37H.
What are the key properties of 10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-3-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[7-(1,10-phenanthrolin-4-yl)triphenylen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene?
10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-3-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[7-(1,10-phenanthrolin-4-yl)triphenylen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene has a molecular weight of 4208.11 g/mol, XLogP of 76.95, 29 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[5-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-3-pyridinyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(9-phenyl-1,10-phenanthrolin-2-yl)pyrimidin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;21-[4-[7-(1,10-phenanthrolin-4-yl)triphenylen-2-yl]phenyl]-10,10-diphenyl-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene is sourced from PubChem (CID 164958798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).