N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline;N-[4-(1-cyclohexa-2,4-dien-1-yl-9H-carbazol-3-yl)phenyl]-N-[(3Z)-5-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]hexa-1,3,5-trien-2-yl]-4-(9-phenyl-2,3-dihydrocarbazol-2-yl)aniline

C210H157N9Si3 — CID 158525268

About N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline;N-[4-(1-cyclohexa-2,4-dien-1-yl-9H-carbazol-3-yl)phenyl]-N-[(3Z)-5-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]hexa-1,3,5-trien-2-yl]-4-(9-phenyl-2,3-dihydrocarbazol-2-yl)aniline

N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline;N-[4-(1-cyclohexa-2,4-dien-1-yl-9H-carbazol-3-yl)phenyl]-N-[(3Z)-5-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]hexa-1,3,5-trien-2-yl]-4-(9-phenyl-2,3-dihydrocarbazol-2-yl)aniline (PubChem CID 158525268) has the molecular formula C210H157N9Si3 and a molecular weight of 2890.89 g/mol. Its IUPAC name is N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline;N-[4-(1-cyclohexa-2,4-dien-1-yl-9H-carbazol-3-yl)phenyl]-N-[(3Z)-5-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]hexa-1,3,5-trien-2-yl]-4-(9-phenyl-2,3-dihydrocarbazol-2-yl)aniline.

Molecular Properties

• Compound Name: N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline;N-[4-(1-cyclohexa-2,4-dien-1-yl-9H-carbazol-3-yl)phenyl]-N-[(3Z)-5-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]hexa-1,3,5-trien-2-yl]-4-(9-phenyl-2,3-dihydrocarbazol-2-yl)aniline
• PubChem CID: 158525268
• Molecular Formula: C210H157N9Si3
• Molecular Weight: 2890.89 g/mol
• Exact Mass: 2888.19
• IUPAC Name: N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline;N-[4-(1-cyclohexa-2,4-dien-1-yl-9H-carbazol-3-yl)phenyl]-N-[(3Z)-5-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]hexa-1,3,5-trien-2-yl]-4-(9-phenyl-2,3-dihydrocarbazol-2-yl)aniline
• SMILES: C1=CCCC([Si](C2=CC=C(N(c3ccc(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)CC2)(c2ccccc2)c2ccccc2)=C1.C=C/C=C\C(=C)[Si](C(=C)/C=C\C(=C)N(c1ccc(-c2cc(C3C=CC=CC3)c3[nH]c4ccccc4c3c2)cc1)c1ccc(C2C=c3c(c4ccccc4n3-c3ccccc3)=CC2)cc1)(c1ccccc1)c1ccccc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6cc7c8ccccc8n8c9ccccc9c(c6)c78)cc5)c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)ccc32)cc1
• InChI: InChI=1S/C72H49N3Si.C72H59N3Si.C66H49N3Si/c1-5-19-54(20-6-1)74-68-30-16-13-27-62(68)65-47-52(37-46-71(65)74)50-33-38-55(39-34-50)73(57-42-44-61(45-43-57)76(58-21-7-2-8-22-58,59-23-9-3-10-24-59)60-25-11-4-12-26-60)56-40-35-51(36-41-56)53-48-66-63-28-14-17-31-69(63)75-70-32-18-15-29-64(70)67(49-53)72(66)75;1-5-6-23-52(3)76(62-28-15-9-16-29-62,63-30-17-10-18-31-63)53(4)37-36-51(2)74(60-43-38-54(39-44-60)57-42-47-66-65-33-20-22-35-70(65)75(71(66)50-57)59-26-13-8-14-27-59)61-45-40-55(41-46-61)58-48-67(56-24-11-7-12-25-56)72-68(49-58)64-32-19-21-34-69(64)73-72;1-5-19-48(20-6-1)68-62-30-16-13-27-56(62)59-45-51(39-42-65(59)68)67(50-37-40-55(41-38-50)70(52-21-7-2-8-22-52,53-23-9-3-10-24-53)54-25-11-4-12-26-54)49-35-33-46(34-36-49)47-43-60-57-28-14-17-31-63(57)69-64-32-18-15-29-58(64)61(44-47)66(60)69/h1-49H;5-24,26-41,43-50,56-57,73H,1-4,25,42H2;1-11,13-25,27-37,39-40,42-45H,12,26,38,41H2/b;23-6-,37-36-
• InChIKey: HMSCYCSREAQHQE-ROHHRMOVSA-N
• XLogP: 47.76
• TPSA: 49.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 34
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2890.89
LogP ≤ 5	47.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline;N-[4-(1-cyclohexa-2,4-dien-1-yl-9H-carbazol-3-yl)phenyl]-N-[(3Z)-5-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]hexa-1,3,5-trien-2-yl]-4-(9-phenyl-2,3-dihydrocarbazol-2-yl)aniline?

The IUPAC name of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline;N-[4-(1-cyclohexa-2,4-dien-1-yl-9H-carbazol-3-yl)phenyl]-N-[(3Z)-5-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]hexa-1,3,5-trien-2-yl]-4-(9-phenyl-2,3-dihydrocarbazol-2-yl)aniline (CID 158525268) is N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline;N-[4-(1-cyclohexa-2,4-dien-1-yl-9H-carbazol-3-yl)phenyl]-N-[(3Z)-5-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]hexa-1,3,5-trien-2-yl]-4-(9-phenyl-2,3-dihydrocarbazol-2-yl)aniline.

What is the SMILES notation for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline;N-[4-(1-cyclohexa-2,4-dien-1-yl-9H-carbazol-3-yl)phenyl]-N-[(3Z)-5-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]hexa-1,3,5-trien-2-yl]-4-(9-phenyl-2,3-dihydrocarbazol-2-yl)aniline?

The canonical SMILES for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline;N-[4-(1-cyclohexa-2,4-dien-1-yl-9H-carbazol-3-yl)phenyl]-N-[(3Z)-5-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]hexa-1,3,5-trien-2-yl]-4-(9-phenyl-2,3-dihydrocarbazol-2-yl)aniline is C1=CCCC([Si](C2=CC=C(N(c3ccc(-c4cc5c6ccccc6n6c7ccccc7c(c4)c56)cc3)c3ccc4c(c3)c3ccccc3n4-c3ccccc3)CC2)(c2ccccc2)c2ccccc2)=C1.C=C/C=C\C(=C)[Si](C(=C)/C=C\C(=C)N(c1ccc(-c2cc(C3C=CC=CC3)c3[nH]c4ccccc4c3c2)cc1)c1ccc(C2C=c3c(c4ccccc4n3-c3ccccc3)=CC2)cc1)(c1ccccc1)c1ccccc1.c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6cc7c8ccccc8n8c9ccccc9c(c6)c78)cc5)c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)ccc32)cc1.

What is the InChIKey of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline;N-[4-(1-cyclohexa-2,4-dien-1-yl-9H-carbazol-3-yl)phenyl]-N-[(3Z)-5-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]hexa-1,3,5-trien-2-yl]-4-(9-phenyl-2,3-dihydrocarbazol-2-yl)aniline?

The InChIKey is HMSCYCSREAQHQE-ROHHRMOVSA-N. The full InChI is InChI=1S/C72H49N3Si.C72H59N3Si.C66H49N3Si/c1-5-19-54(20-6-1)74-68-30-16-13-27-62(68)65-47-52(37-46-71(65)74)50-33-38-55(39-34-50)73(57-42-44-61(45-43-57)76(58-21-7-2-8-22-58,59-23-9-3-10-24-59)60-25-11-4-12-26-60)56-40-35-51(36-41-56)53-48-66-63-28-14-17-31-69(63)75-70-32-18-15-29-64(70)67(49-53)72(66)75;1-5-6-23-52(3)76(62-28-15-9-16-29-62,63-30-17-10-18-31-63)53(4)37-36-51(2)74(60-43-38-54(39-44-60)57-42-47-66-65-33-20-22-35-70(65)75(71(66)50-57)59-26-13-8-14-27-59)61-45-40-55(41-46-61)58-48-67(56-24-11-7-12-25-56)72-68(49-58)64-32-19-21-34-69(64)73-72;1-5-19-48(20-6-1)68-62-30-16-13-27-56(62)59-45-51(39-42-65(59)68)67(50-37-40-55(41-38-50)70(52-21-7-2-8-22-52,53-23-9-3-10-24-53)54-25-11-4-12-26-54)49-35-33-46(34-36-49)47-43-60-57-28-14-17-31-63(57)69-64-32-18-15-29-58(64)61(44-47)66(60)69/h1-49H;5-24,26-41,43-50,56-57,73H,1-4,25,42H2;1-11,13-25,27-37,39-40,42-45H,12,26,38,41H2/b;23-6-,37-36-;.

What are the key properties of N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline;N-[4-(1-cyclohexa-2,4-dien-1-yl-9H-carbazol-3-yl)phenyl]-N-[(3Z)-5-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]hexa-1,3,5-trien-2-yl]-4-(9-phenyl-2,3-dihydrocarbazol-2-yl)aniline?

N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline;N-[4-(1-cyclohexa-2,4-dien-1-yl-9H-carbazol-3-yl)phenyl]-N-[(3Z)-5-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]hexa-1,3,5-trien-2-yl]-4-(9-phenyl-2,3-dihydrocarbazol-2-yl)aniline has a molecular weight of 2890.89 g/mol, XLogP of 47.76, 34 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]cyclohexa-1,3-dien-1-yl]-9-phenylcarbazol-3-amine;N-[4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)phenyl]-4-(9-phenylcarbazol-3-yl)-N-(4-triphenylsilylphenyl)aniline;N-[4-(1-cyclohexa-2,4-dien-1-yl-9H-carbazol-3-yl)phenyl]-N-[(3Z)-5-[[(3Z)-hexa-1,3,5-trien-2-yl]-diphenylsilyl]hexa-1,3,5-trien-2-yl]-4-(9-phenyl-2,3-dihydrocarbazol-2-yl)aniline is sourced from PubChem (CID 158525268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).