N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine

C66H49N3Si — CID 123517948

About N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine (PubChem CID 123517948) has the molecular formula C66H49N3Si and a molecular weight of 912.22 g/mol. Its IUPAC name is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine.

Molecular Properties

• Compound Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine
• PubChem CID: 123517948
• Molecular Formula: C66H49N3Si
• Molecular Weight: 912.22 g/mol
• Exact Mass: 911.37
• IUPAC Name: N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine
• SMILES: C=Cc1c(C=C)n2c3ccccc3c3cc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc([Si](C5=CC=CCC5)(c5ccccc5)c5ccccc5)cc4)cc1c32
• InChI: InChI=1S/C66H49N3Si/c1-3-56-60-44-51(45-61-59-28-16-19-31-65(59)69(66(60)61)62(56)4-2)67(49-40-42-55(43-41-49)70(52-20-8-5-9-21-52,53-22-10-6-11-23-53)54-24-12-7-13-25-54)48-36-32-46(33-37-48)47-34-38-50(39-35-47)68-63-29-17-14-26-57(63)58-27-15-18-30-64(58)68/h3-12,14-24,26-45H,1-2,13,25H2
• InChIKey: JTTVFMPXZJPSBH-UHFFFAOYSA-N
• XLogP: 15.49
• TPSA: 12.58 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	912.22
LogP ≤ 5	15.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine?

The IUPAC name of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine (CID 123517948) is N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine.

What is the SMILES notation for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine?

The canonical SMILES for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine is C=Cc1c(C=C)n2c3ccccc3c3cc(N(c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)c4ccc([Si](C5=CC=CCC5)(c5ccccc5)c5ccccc5)cc4)cc1c32.

What is the InChIKey of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine?

The InChIKey is JTTVFMPXZJPSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H49N3Si/c1-3-56-60-44-51(45-61-59-28-16-19-31-65(59)69(66(60)61)62(56)4-2)67(49-40-42-55(43-41-49)70(52-20-8-5-9-21-52,53-22-10-6-11-23-53)54-24-12-7-13-25-54)48-36-32-46(33-37-48)47-34-38-50(39-35-47)68-63-29-17-14-26-57(63)58-27-15-18-30-64(58)68/h3-12,14-24,26-45H,1-2,13,25H2.

What are the key properties of N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine?

N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine has a molecular weight of 912.22 g/mol, XLogP of 15.49, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[cyclohexa-1,3-dien-1-yl(diphenyl)silyl]phenyl]-9,10-bis(ethenyl)-8-azatetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2,4,6,9,11,13-heptaen-13-amine is sourced from PubChem (CID 123517948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).