4-N-[9,9-dimethyl-7-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine

C71H51N3 — CID 90148476

About 4-N-[9,9-dimethyl-7-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine

4-N-[9,9-dimethyl-7-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine (PubChem CID 90148476) has the molecular formula C71H51N3 and a molecular weight of 946.21 g/mol. Its IUPAC name is 4-N-[9,9-dimethyl-7-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine.

Molecular Properties

• Compound Name: 4-N-[9,9-dimethyl-7-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
• PubChem CID: 90148476
• Molecular Formula: C71H51N3
• Molecular Weight: 946.21 g/mol
• Exact Mass: 945.41
• IUPAC Name: 4-N-[9,9-dimethyl-7-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
• SMILES: CC1(C)c2cc(-c3ccc4c5c3ccc3cccc(c35)n4-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21
• InChI: InChI=1S/C71H51N3/c1-71(2)65-46-53(61-44-45-68-70-64(61)42-30-52-20-15-25-67(69(52)70)74(68)59-34-28-51(29-35-59)49-18-9-4-10-19-49)31-41-62(65)63-43-40-60(47-66(63)71)73(56-32-26-50(27-33-56)48-16-7-3-8-17-48)58-38-36-57(37-39-58)72(54-21-11-5-12-22-54)55-23-13-6-14-24-55/h3-47H,1-2H3
• InChIKey: GLQZVPQTFHRTNC-UHFFFAOYSA-N
• XLogP: 19.62
• TPSA: 11.41 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	946.21
LogP ≤ 5	19.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-N-[9,9-dimethyl-7-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?

The IUPAC name of 4-N-[9,9-dimethyl-7-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine (CID 90148476) is 4-N-[9,9-dimethyl-7-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine.

What is the SMILES notation for 4-N-[9,9-dimethyl-7-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?

The canonical SMILES for 4-N-[9,9-dimethyl-7-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine is CC1(C)c2cc(-c3ccc4c5c3ccc3cccc(c35)n4-c3ccc(-c4ccccc4)cc3)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc21.

What is the InChIKey of 4-N-[9,9-dimethyl-7-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?

The InChIKey is GLQZVPQTFHRTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H51N3/c1-71(2)65-46-53(61-44-45-68-70-64(61)42-30-52-20-15-25-67(69(52)70)74(68)59-34-28-51(29-35-59)49-18-9-4-10-19-49)31-41-62(65)63-43-40-60(47-66(63)71)73(56-32-26-50(27-33-56)48-16-7-3-8-17-48)58-38-36-57(37-39-58)72(54-21-11-5-12-22-54)55-23-13-6-14-24-55/h3-47H,1-2H3.

What are the key properties of 4-N-[9,9-dimethyl-7-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine?

4-N-[9,9-dimethyl-7-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine has a molecular weight of 946.21 g/mol, XLogP of 19.62, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-[9,9-dimethyl-7-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 90148476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).