N-[(1E,3E)-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)hexa-1,3,5-trienyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)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]-4-(4-carbazol-9-ylphenyl)-N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-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]-4-(4-carbazol-9-ylphenyl)-N-(4-triphenylen-2-ylphenyl)aniline

C204H137N9O — CID 162245286

About N-[(1E,3E)-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)hexa-1,3,5-trienyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)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]-4-(4-carbazol-9-ylphenyl)-N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-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]-4-(4-carbazol-9-ylphenyl)-N-(4-triphenylen-2-ylphenyl)aniline

N-[(1E,3E)-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)hexa-1,3,5-trienyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)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]-4-(4-carbazol-9-ylphenyl)-N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-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]-4-(4-carbazol-9-ylphenyl)-N-(4-triphenylen-2-ylphenyl)aniline (PubChem CID 162245286) has the molecular formula C204H137N9O and a molecular weight of 2730.40 g/mol. Its IUPAC name is N-[(1E,3E)-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)hexa-1,3,5-trienyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)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]-4-(4-carbazol-9-ylphenyl)-N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-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]-4-(4-carbazol-9-ylphenyl)-N-(4-triphenylen-2-ylphenyl)aniline.

Molecular Properties

• Compound Name: N-[(1E,3E)-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)hexa-1,3,5-trienyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)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]-4-(4-carbazol-9-ylphenyl)-N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-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]-4-(4-carbazol-9-ylphenyl)-N-(4-triphenylen-2-ylphenyl)aniline
• PubChem CID: 162245286
• Molecular Formula: C204H137N9O
• Molecular Weight: 2730.40 g/mol
• Exact Mass: 2728.09
• IUPAC Name: N-[(1E,3E)-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)hexa-1,3,5-trienyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)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]-4-(4-carbazol-9-ylphenyl)-N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-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]-4-(4-carbazol-9-ylphenyl)-N-(4-triphenylen-2-ylphenyl)aniline
• SMILES: C1=CCCC(C2=CC=C(C3=CC=C(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc4)CC3)CC2)=C1.C=C/C(=C\C=C\N(c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1)c1cc2c3ccccc3n3c4ccccc4c(c1)c23.c1ccc2c(c1)c1ccccc1c1cc(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc4)cc3)ccc21
• InChI: InChI=1S/C72H45N3.C66H43N3O.C66H49N3/c1-2-15-58-56(13-1)57-14-3-4-16-59(57)65-43-50(33-42-60(58)65)48-29-36-53(37-30-48)73(52-34-25-46(26-35-52)47-27-40-55(41-28-47)74-68-21-9-5-17-61(68)62-18-6-10-22-69(62)74)54-38-31-49(32-39-54)51-44-66-63-19-7-11-23-70(63)75-71-24-12-8-20-64(71)67(45-51)72(66)75;1-2-43(48-40-58-54-17-5-10-22-62(54)69-63-23-11-6-18-55(63)59(41-48)66(58)69)14-13-39-67(50-34-27-46(28-35-50)47-31-38-57-56-19-7-12-24-64(56)70-65(57)42-47)49-32-25-44(26-33-49)45-29-36-51(37-30-45)68-60-20-8-3-15-52(60)53-16-4-9-21-61(53)68;1-2-12-44(13-3-1)45-22-24-46(25-23-45)47-26-34-52(35-27-47)67(53-36-28-48(29-37-53)49-30-40-55(41-31-49)68-62-18-8-4-14-56(62)57-15-5-9-19-63(57)68)54-38-32-50(33-39-54)51-42-60-58-16-6-10-20-64(58)69-65-21-11-7-17-59(65)61(43-51)66(60)69/h1-45H;2-42H,1H2;1-2,4-12,14-22,24,26,28-34,36-43H,3,13,23,25,27,35H2/b;39-13+,43-14+
• InChIKey: ZXGFTWSVJLRKLP-HPKOFJOCSA-N
• XLogP: 55.89
• TPSA: 50.88 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 24
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2730.40
LogP ≤ 5	55.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(1E,3E)-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)hexa-1,3,5-trienyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)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]-4-(4-carbazol-9-ylphenyl)-N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-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]-4-(4-carbazol-9-ylphenyl)-N-(4-triphenylen-2-ylphenyl)aniline?

The IUPAC name of N-[(1E,3E)-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)hexa-1,3,5-trienyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)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]-4-(4-carbazol-9-ylphenyl)-N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-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]-4-(4-carbazol-9-ylphenyl)-N-(4-triphenylen-2-ylphenyl)aniline (CID 162245286) is N-[(1E,3E)-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)hexa-1,3,5-trienyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)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]-4-(4-carbazol-9-ylphenyl)-N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-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]-4-(4-carbazol-9-ylphenyl)-N-(4-triphenylen-2-ylphenyl)aniline.

What is the SMILES notation for N-[(1E,3E)-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)hexa-1,3,5-trienyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)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]-4-(4-carbazol-9-ylphenyl)-N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-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]-4-(4-carbazol-9-ylphenyl)-N-(4-triphenylen-2-ylphenyl)aniline?

The canonical SMILES for N-[(1E,3E)-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)hexa-1,3,5-trienyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)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]-4-(4-carbazol-9-ylphenyl)-N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-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]-4-(4-carbazol-9-ylphenyl)-N-(4-triphenylen-2-ylphenyl)aniline is C1=CCCC(C2=CC=C(C3=CC=C(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc4)CC3)CC2)=C1.C=C/C(=C\C=C\N(c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1)c1ccc(-c2ccc3c(c2)oc2ccccc23)cc1)c1cc2c3ccccc3n3c4ccccc4c(c1)c23.c1ccc2c(c1)c1ccccc1c1cc(-c3ccc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc(-c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc4)cc3)ccc21.

What is the InChIKey of N-[(1E,3E)-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)hexa-1,3,5-trienyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)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]-4-(4-carbazol-9-ylphenyl)-N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-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]-4-(4-carbazol-9-ylphenyl)-N-(4-triphenylen-2-ylphenyl)aniline?

The InChIKey is ZXGFTWSVJLRKLP-HPKOFJOCSA-N. The full InChI is InChI=1S/C72H45N3.C66H43N3O.C66H49N3/c1-2-15-58-56(13-1)57-14-3-4-16-59(57)65-43-50(33-42-60(58)65)48-29-36-53(37-30-48)73(52-34-25-46(26-35-52)47-27-40-55(41-28-47)74-68-21-9-5-17-61(68)62-18-6-10-22-69(62)74)54-38-31-49(32-39-54)51-44-66-63-19-7-11-23-70(63)75-71-24-12-8-20-64(71)67(45-51)72(66)75;1-2-43(48-40-58-54-17-5-10-22-62(54)69-63-23-11-6-18-55(63)59(41-48)66(58)69)14-13-39-67(50-34-27-46(28-35-50)47-31-38-57-56-19-7-12-24-64(56)70-65(57)42-47)49-32-25-44(26-33-49)45-29-36-51(37-30-45)68-60-20-8-3-15-52(60)53-16-4-9-21-61(53)68;1-2-12-44(13-3-1)45-22-24-46(25-23-45)47-26-34-52(35-27-47)67(53-36-28-48(29-37-53)49-30-40-55(41-31-49)68-62-18-8-4-14-56(62)57-15-5-9-19-63(57)68)54-38-32-50(33-39-54)51-42-60-58-16-6-10-20-64(58)69-65-21-11-7-17-59(65)61(43-51)66(60)69/h1-45H;2-42H,1H2;1-2,4-12,14-22,24,26,28-34,36-43H,3,13,23,25,27,35H2/b;39-13+,43-14+;.

What are the key properties of N-[(1E,3E)-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)hexa-1,3,5-trienyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)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]-4-(4-carbazol-9-ylphenyl)-N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-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]-4-(4-carbazol-9-ylphenyl)-N-(4-triphenylen-2-ylphenyl)aniline?

N-[(1E,3E)-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)hexa-1,3,5-trienyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)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]-4-(4-carbazol-9-ylphenyl)-N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-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]-4-(4-carbazol-9-ylphenyl)-N-(4-triphenylen-2-ylphenyl)aniline has a molecular weight of 2730.40 g/mol, XLogP of 55.89, 24 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1E,3E)-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)hexa-1,3,5-trienyl]-4-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)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]-4-(4-carbazol-9-ylphenyl)-N-[4-(4-cyclohexa-1,3-dien-1-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-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]-4-(4-carbazol-9-ylphenyl)-N-(4-triphenylen-2-ylphenyl)aniline is sourced from PubChem (CID 162245286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).