8-[3-[6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]naphthalen-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C239H148N20O2S — CID 160586272

IUPAC8-[3-[6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]naphthalen-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8oc9ccncc9c8c7)ccc6c5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ncncc6n7-c6ccccc6)c5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8cccnc8c7n6)c5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8cccnc8c7n6)c5)ccc43)c2)cc1
InChIInChI=1S/C63H40N6.C62H38N4O.C57H35N5O.C57H35N5S/c1-4-15-41(16-5-1)47-36-55(42-17-6-2-7-18-42)66-62(37-47)69-57-26-13-11-24-51(57)53-35-46(28-31-59(53)69)44-20-14-19-43(33-44)45-27-30-58-52(34-45)50-23-10-12-25-56(50)68(58)49-29-32-60-54(38-49)63-61(39-64-40-65-63)67(60)48-21-8-3-9-22-48;1-3-11-39(12-4-1)47-35-55(40-13-5-2-6-14-40)64-62(36-47)66-57-18-10-8-16-50(57)52-34-46(24-27-59(52)66)44-22-20-41-31-43(21-19-42(41)32-44)45-23-26-58-51(33-45)49-15-7-9-17-56(49)65(58)48-25-28-60-53(37-48)54-38-63-30-29-61(54)67-60;2*1-3-13-36(14-4-1)42-34-47(37-15-5-2-6-16-37)59-55(35-42)62-49-22-10-8-20-44(49)46-33-41(25-27-51(46)62)39-18-11-17-38(31-39)40-24-26-50-45(32-40)43-19-7-9-21-48(43)61(50)54-29-28-53-57(60-54)56-52(63-53)23-12-30-58-56/h1-40H;1-38H;2*1-35H
InChIKeyRCKVXYIUXDVBER-UHFFFAOYSA-N
MW3364.02 g/mol
LogP61.96
Rot. Bonds25

About 8-[3-[6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]naphthalen-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[3-[6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]naphthalen-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 160586272) has the molecular formula C239H148N20O2S and a molecular weight of 3364.02 g/mol. Its IUPAC name is 8-[3-[6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]naphthalen-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[3-[6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]naphthalen-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID160586272
Molecular FormulaC239H148N20O2S
Molecular Weight3364.02 g/mol
Exact Mass3361.18
IUPAC Name8-[3-[6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]naphthalen-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8oc9ccncc9c8c7)ccc6c5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ncncc6n7-c6ccccc6)c5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8cccnc8c7n6)c5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8cccnc8c7n6)c5)ccc43)c2)cc1
InChIInChI=1S/C63H40N6.C62H38N4O.C57H35N5O.C57H35N5S/c1-4-15-41(16-5-1)47-36-55(42-17-6-2-7-18-42)66-62(37-47)69-57-26-13-11-24-51(57)53-35-46(28-31-59(53)69)44-20-14-19-43(33-44)45-27-30-58-52(34-45)50-23-10-12-25-56(50)68(58)49-29-32-60-54(38-49)63-61(39-64-40-65-63)67(60)48-21-8-3-9-22-48;1-3-11-39(12-4-1)47-35-55(40-13-5-2-6-14-40)64-62(36-47)66-57-18-10-8-16-50(57)52-34-46(24-27-59(52)66)44-22-20-41-31-43(21-19-42(41)32-44)45-23-26-58-51(33-45)49-15-7-9-17-56(49)65(58)48-25-28-60-53(37-48)54-38-63-30-29-61(54)67-60;2*1-3-13-36(14-4-1)42-34-47(37-15-5-2-6-16-37)59-55(35-42)62-49-22-10-8-20-44(49)46-33-41(25-27-51(46)62)39-18-11-17-38(31-39)40-24-26-50-45(32-40)43-19-7-9-21-48(43)61(50)54-29-28-53-57(60-54)56-52(63-53)23-12-30-58-56/h1-40H;1-38H;2*1-35H
InChIKeyRCKVXYIUXDVBER-UHFFFAOYSA-N
XLogP61.96
TPSA212.44 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds25
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003364.02
LogP ≤ 561.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 8-[3-[6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]naphthalen-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[3-[6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]naphthalen-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[3-[6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]naphthalen-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 160586272) is 8-[3-[6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]naphthalen-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-[3-[6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]naphthalen-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[3-[6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]naphthalen-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5ccc6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccc8oc9ccncc9c8c7)ccc6c5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ncncc6n7-c6ccccc6)c5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7oc8cccnc8c7n6)c5)ccc43)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7sc8cccnc8c7n6)c5)ccc43)c2)cc1.
What is the InChIKey of 8-[3-[6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]naphthalen-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is RCKVXYIUXDVBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H40N6.C62H38N4O.C57H35N5O.C57H35N5S/c1-4-15-41(16-5-1)47-36-55(42-17-6-2-7-18-42)66-62(37-47)69-57-26-13-11-24-51(57)53-35-46(28-31-59(53)69)44-20-14-19-43(33-44)45-27-30-58-52(34-45)50-23-10-12-25-56(50)68(58)49-29-32-60-54(38-49)63-61(39-64-40-65-63)67(60)48-21-8-3-9-22-48;1-3-11-39(12-4-1)47-35-55(40-13-5-2-6-14-40)64-62(36-47)66-57-18-10-8-16-50(57)52-34-46(24-27-59(52)66)44-22-20-41-31-43(21-19-42(41)32-44)45-23-26-58-51(33-45)49-15-7-9-17-56(49)65(58)48-25-28-60-53(37-48)54-38-63-30-29-61(54)67-60;2*1-3-13-36(14-4-1)42-34-47(37-15-5-2-6-16-37)59-55(35-42)62-49-22-10-8-20-44(49)46-33-41(25-27-51(46)62)39-18-11-17-38(31-39)40-24-26-50-45(32-40)43-19-7-9-21-48(43)61(50)54-29-28-53-57(60-54)56-52(63-53)23-12-30-58-56/h1-40H;1-38H;2*1-35H.
What are the key properties of 8-[3-[6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]naphthalen-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[3-[6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]naphthalen-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 3364.02 g/mol, XLogP of 61.96, 25 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-[6-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]naphthalen-2-yl]carbazol-9-yl]-[1]benzofuro[3,2-c]pyridine;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-5-phenylpyrimido[5,4-b]indole;4-[3-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]phenyl]carbazol-9-yl]-8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 160586272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).