N-[(1E,3E)-4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]hexa-1,3,5-trienyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-triphenylsilylphenyl)aniline;N-[4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline

C162H116N6Si2 — CID 159820093

About N-[(1E,3E)-4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]hexa-1,3,5-trienyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-triphenylsilylphenyl)aniline;N-[4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline

N-[(1E,3E)-4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]hexa-1,3,5-trienyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-triphenylsilylphenyl)aniline;N-[4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline (PubChem CID 159820093) has the molecular formula C162H116N6Si2 and a molecular weight of 2202.92 g/mol. Its IUPAC name is N-[(1E,3E)-4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]hexa-1,3,5-trienyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-triphenylsilylphenyl)aniline;N-[4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[(1E,3E)-4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]hexa-1,3,5-trienyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-triphenylsilylphenyl)aniline;N-[4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline
• PubChem CID: 159820093
• Molecular Formula: C162H116N6Si2
• Molecular Weight: 2202.92 g/mol
• Exact Mass: 2200.88
• IUPAC Name: N-[(1E,3E)-4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]hexa-1,3,5-trienyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-triphenylsilylphenyl)aniline;N-[4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline
• SMILES: C=C/C=c1\c(=C)n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(-c7ccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)cc7)cc6)cc5)c5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5)cc4)cc1c32.C=C/C=c1\c(=C)n2c3ccccc3c3cc(/C(C=C)=C/C=C/N(c4ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc1c32
• InChI: InChI=1S/C84H59N3Si.C78H57N3Si/c1-3-21-74-58(2)85-80-33-18-16-30-76(80)79-57-65(56-78(74)84(79)85)63-42-50-68(51-43-63)86(69-52-44-64(45-53-69)75-32-20-35-82-83(75)77-31-17-19-34-81(77)87(82)66-22-8-4-9-23-66)67-48-40-61(41-49-67)59-36-38-60(39-37-59)62-46-54-73(55-47-62)88(70-24-10-5-11-25-70,71-26-12-6-13-27-71)72-28-14-7-15-29-72;1-4-23-69-55(3)80-75-35-20-19-34-71(75)74-54-61(53-73(69)78(74)80)56(5-2)24-22-51-79(63-46-39-59(40-47-63)60-43-50-77-72(52-60)70-33-18-21-36-76(70)81(77)64-25-10-6-11-26-64)62-44-37-57(38-45-62)58-41-48-68(49-42-58)82(65-27-12-7-13-28-65,66-29-14-8-15-30-66)67-31-16-9-17-32-67/h3-57H,1-2H2;4-54H,1-3H2/b74-21+;51-22+,56-24+,69-23+
• InChIKey: NMCVJYBIHXESEX-FBDBVJQBSA-N
• XLogP: 33.46
• TPSA: 25.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 27
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2202.92
LogP ≤ 5	33.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-[(1E,3E)-4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]hexa-1,3,5-trienyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-triphenylsilylphenyl)aniline;N-[4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline?

The IUPAC name of N-[(1E,3E)-4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]hexa-1,3,5-trienyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-triphenylsilylphenyl)aniline;N-[4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline (CID 159820093) is N-[(1E,3E)-4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]hexa-1,3,5-trienyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-triphenylsilylphenyl)aniline;N-[4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline.

What is the SMILES notation for N-[(1E,3E)-4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]hexa-1,3,5-trienyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-triphenylsilylphenyl)aniline;N-[4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline?

The canonical SMILES for N-[(1E,3E)-4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]hexa-1,3,5-trienyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-triphenylsilylphenyl)aniline;N-[4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline is C=C/C=c1\c(=C)n2c3ccccc3c3cc(-c4ccc(N(c5ccc(-c6ccc(-c7ccc([Si](c8ccccc8)(c8ccccc8)c8ccccc8)cc7)cc6)cc5)c5ccc(-c6cccc7c6c6ccccc6n7-c6ccccc6)cc5)cc4)cc1c32.C=C/C=c1\c(=C)n2c3ccccc3c3cc(/C(C=C)=C/C=C/N(c4ccc(-c5ccc([Si](c6ccccc6)(c6ccccc6)c6ccccc6)cc5)cc4)c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4)cc1c32.

What is the InChIKey of N-[(1E,3E)-4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]hexa-1,3,5-trienyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-triphenylsilylphenyl)aniline;N-[4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline?

The InChIKey is NMCVJYBIHXESEX-FBDBVJQBSA-N. The full InChI is InChI=1S/C84H59N3Si.C78H57N3Si/c1-3-21-74-58(2)85-80-33-18-16-30-76(80)79-57-65(56-78(74)84(79)85)63-42-50-68(51-43-63)86(69-52-44-64(45-53-69)75-32-20-35-82-83(75)77-31-17-19-34-81(77)87(82)66-22-8-4-9-23-66)67-48-40-61(41-49-67)59-36-38-60(39-37-59)62-46-54-73(55-47-62)88(70-24-10-5-11-25-70,71-26-12-6-13-27-71)72-28-14-7-15-29-72;1-4-23-69-55(3)80-75-35-20-19-34-71(75)74-54-61(53-73(69)78(74)80)56(5-2)24-22-51-79(63-46-39-59(40-47-63)60-43-50-77-72(52-60)70-33-18-21-36-76(70)81(77)64-25-10-6-11-26-64)62-44-37-57(38-45-62)58-41-48-68(49-42-58)82(65-27-12-7-13-28-65,66-29-14-8-15-30-66)67-31-16-9-17-32-67/h3-57H,1-2H2;4-54H,1-3H2/b74-21+;51-22+,56-24+,69-23+.

What are the key properties of N-[(1E,3E)-4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]hexa-1,3,5-trienyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-triphenylsilylphenyl)aniline;N-[4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline?

N-[(1E,3E)-4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]hexa-1,3,5-trienyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-triphenylsilylphenyl)aniline;N-[4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline has a molecular weight of 2202.92 g/mol, XLogP of 33.46, 27 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1E,3E)-4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]hexa-1,3,5-trienyl]-N-[4-(9-phenylcarbazol-3-yl)phenyl]-4-(4-triphenylsilylphenyl)aniline;N-[4-[(10Z)-9-methylidene-10-prop-2-enylidene-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,11,13-hexaen-13-yl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-4-[4-(4-triphenylsilylphenyl)phenyl]aniline is sourced from PubChem (CID 159820093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).