10-[14-(3-diphenylphosphorylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;14-(3-phenylphenyl)-10-[14-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

C231H154N9OP — CID 157360576

IUPAC10-[14-(3-diphenylphosphorylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;14-(3-phenylphenyl)-10-[14-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(N2c3ccccc3-c3ccccc3-c3cc(-c4ccc5c(c4)-c4ccccc4-c4ccccc4N5c4ccccc4)ccc32)c1.c1ccc(-c2ccc(N3c4ccccc4-c4ccccc4-c4cc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5N6c5cccc(-c6ccccc6)c5)ccc43)cc2)cc1.c1ccc(-c2cccc(N3c4ccccc4-c4ccccc4-c4cc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5N6c5ccc6ccccc6c5)ccc43)c2)cc1.c1ccc(N2c3ccccc3-c3ccccc3-c3cc(-c4ccc5c(c4)-c4ccccc4-c4ccccc4N5c4cccc(-c5cccnc5)c4)ccc32)cc1
InChIInChI=1S/C60H41N2OP.C60H40N2.C58H38N2.C53H35N3/c63-64(46-22-6-2-7-23-46,47-24-8-3-9-25-47)48-26-18-21-45(41-48)62-58-34-17-15-32-54(58)50-28-11-13-30-52(50)56-40-43(36-38-60(56)62)42-35-37-59-55(39-42)51-29-12-10-27-49(51)53-31-14-16-33-57(53)61(59)44-19-4-1-5-20-44;1-3-16-41(17-4-1)43-30-34-47(35-31-43)61-57-28-13-11-26-53(57)49-22-7-9-24-51(49)55-39-45(32-36-59(55)61)46-33-37-60-56(40-46)52-25-10-8-23-50(52)54-27-12-14-29-58(54)62(60)48-21-15-20-44(38-48)42-18-5-2-6-19-42;1-2-15-39(16-3-1)42-19-14-20-45(35-42)59-55-27-12-10-25-51(55)47-21-6-8-23-49(47)53-37-43(30-33-57(53)59)44-31-34-58-54(38-44)50-24-9-7-22-48(50)52-26-11-13-28-56(52)60(58)46-32-29-40-17-4-5-18-41(40)36-46;1-2-16-40(17-3-1)55-50-25-10-8-23-46(50)42-19-4-6-21-44(42)48-33-37(27-29-52(48)55)38-28-30-53-49(34-38)45-22-7-5-20-43(45)47-24-9-11-26-51(47)56(53)41-18-12-14-36(32-41)39-15-13-31-54-35-39/h1-41H;1-40H;1-38H;1-35H
InChIKeyBIOZBIBTFKSJEL-UHFFFAOYSA-N
MW3102.81 g/mol
LogP63.21
Rot. Bonds19

About 10-[14-(3-diphenylphosphorylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;14-(3-phenylphenyl)-10-[14-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene

10-[14-(3-diphenylphosphorylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;14-(3-phenylphenyl)-10-[14-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (PubChem CID 157360576) has the molecular formula C231H154N9OP and a molecular weight of 3102.81 g/mol. Its IUPAC name is 10-[14-(3-diphenylphosphorylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;14-(3-phenylphenyl)-10-[14-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.

Molecular Properties

Compound Name10-[14-(3-diphenylphosphorylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;14-(3-phenylphenyl)-10-[14-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
PubChem CID157360576
Molecular FormulaC231H154N9OP
Molecular Weight3102.81 g/mol
Exact Mass3100.20
IUPAC Name10-[14-(3-diphenylphosphorylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;14-(3-phenylphenyl)-10-[14-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc(N2c3ccccc3-c3ccccc3-c3cc(-c4ccc5c(c4)-c4ccccc4-c4ccccc4N5c4ccccc4)ccc32)c1.c1ccc(-c2ccc(N3c4ccccc4-c4ccccc4-c4cc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5N6c5cccc(-c6ccccc6)c5)ccc43)cc2)cc1.c1ccc(-c2cccc(N3c4ccccc4-c4ccccc4-c4cc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5N6c5ccc6ccccc6c5)ccc43)c2)cc1.c1ccc(N2c3ccccc3-c3ccccc3-c3cc(-c4ccc5c(c4)-c4ccccc4-c4ccccc4N5c4cccc(-c5cccnc5)c4)ccc32)cc1
InChIInChI=1S/C60H41N2OP.C60H40N2.C58H38N2.C53H35N3/c63-64(46-22-6-2-7-23-46,47-24-8-3-9-25-47)48-26-18-21-45(41-48)62-58-34-17-15-32-54(58)50-28-11-13-30-52(50)56-40-43(36-38-60(56)62)42-35-37-59-55(39-42)51-29-12-10-27-49(51)53-31-14-16-33-57(53)61(59)44-19-4-1-5-20-44;1-3-16-41(17-4-1)43-30-34-47(35-31-43)61-57-28-13-11-26-53(57)49-22-7-9-24-51(49)55-39-45(32-36-59(55)61)46-33-37-60-56(40-46)52-25-10-8-23-50(52)54-27-12-14-29-58(54)62(60)48-21-15-20-44(38-48)42-18-5-2-6-19-42;1-2-15-39(16-3-1)42-19-14-20-45(35-42)59-55-27-12-10-25-51(55)47-21-6-8-23-49(47)53-37-43(30-33-57(53)59)44-31-34-58-54(38-44)50-24-9-7-22-48(50)52-26-11-13-28-56(52)60(58)46-32-29-40-17-4-5-18-41(40)36-46;1-2-16-40(17-3-1)55-50-25-10-8-23-46(50)42-19-4-6-21-44(42)48-33-37(27-29-52(48)55)38-28-30-53-49(34-38)45-22-7-5-20-43(45)47-24-9-11-26-51(47)56(53)41-18-12-14-36(32-41)39-15-13-31-54-35-39/h1-41H;1-40H;1-38H;1-35H
InChIKeyBIOZBIBTFKSJEL-UHFFFAOYSA-N
XLogP63.21
TPSA55.88 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms242
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003102.81
LogP ≤ 563.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 10-[14-(3-diphenylphosphorylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;14-(3-phenylphenyl)-10-[14-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-[14-(3-diphenylphosphorylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;14-(3-phenylphenyl)-10-[14-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The IUPAC name of 10-[14-(3-diphenylphosphorylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;14-(3-phenylphenyl)-10-[14-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene (CID 157360576) is 10-[14-(3-diphenylphosphorylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;14-(3-phenylphenyl)-10-[14-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene.
What is the SMILES notation for 10-[14-(3-diphenylphosphorylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;14-(3-phenylphenyl)-10-[14-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The canonical SMILES for 10-[14-(3-diphenylphosphorylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;14-(3-phenylphenyl)-10-[14-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is O=P(c1ccccc1)(c1ccccc1)c1cccc(N2c3ccccc3-c3ccccc3-c3cc(-c4ccc5c(c4)-c4ccccc4-c4ccccc4N5c4ccccc4)ccc32)c1.c1ccc(-c2ccc(N3c4ccccc4-c4ccccc4-c4cc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5N6c5cccc(-c6ccccc6)c5)ccc43)cc2)cc1.c1ccc(-c2cccc(N3c4ccccc4-c4ccccc4-c4cc(-c5ccc6c(c5)-c5ccccc5-c5ccccc5N6c5ccc6ccccc6c5)ccc43)c2)cc1.c1ccc(N2c3ccccc3-c3ccccc3-c3cc(-c4ccc5c(c4)-c4ccccc4-c4ccccc4N5c4cccc(-c5cccnc5)c4)ccc32)cc1.
What is the InChIKey of 10-[14-(3-diphenylphosphorylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;14-(3-phenylphenyl)-10-[14-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
The InChIKey is BIOZBIBTFKSJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H41N2OP.C60H40N2.C58H38N2.C53H35N3/c63-64(46-22-6-2-7-23-46,47-24-8-3-9-25-47)48-26-18-21-45(41-48)62-58-34-17-15-32-54(58)50-28-11-13-30-52(50)56-40-43(36-38-60(56)62)42-35-37-59-55(39-42)51-29-12-10-27-49(51)53-31-14-16-33-57(53)61(59)44-19-4-1-5-20-44;1-3-16-41(17-4-1)43-30-34-47(35-31-43)61-57-28-13-11-26-53(57)49-22-7-9-24-51(49)55-39-45(32-36-59(55)61)46-33-37-60-56(40-46)52-25-10-8-23-50(52)54-27-12-14-29-58(54)62(60)48-21-15-20-44(38-48)42-18-5-2-6-19-42;1-2-15-39(16-3-1)42-19-14-20-45(35-42)59-55-27-12-10-25-51(55)47-21-6-8-23-49(47)53-37-43(30-33-57(53)59)44-31-34-58-54(38-44)50-24-9-7-22-48(50)52-26-11-13-28-56(52)60(58)46-32-29-40-17-4-5-18-41(40)36-46;1-2-16-40(17-3-1)55-50-25-10-8-23-46(50)42-19-4-6-21-44(42)48-33-37(27-29-52(48)55)38-28-30-53-49(34-38)45-22-7-5-20-43(45)47-24-9-11-26-51(47)56(53)41-18-12-14-36(32-41)39-15-13-31-54-35-39/h1-41H;1-40H;1-38H;1-35H.
What are the key properties of 10-[14-(3-diphenylphosphorylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;14-(3-phenylphenyl)-10-[14-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene?
10-[14-(3-diphenylphosphorylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;14-(3-phenylphenyl)-10-[14-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene has a molecular weight of 3102.81 g/mol, XLogP of 63.21, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[14-(3-diphenylphosphorylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-naphthalen-2-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;10-(14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl)-14-(3-pyridin-3-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene;14-(3-phenylphenyl)-10-[14-(4-phenylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-10-yl]-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene is sourced from PubChem (CID 157360576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).