N,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine

C68H44N4 — CID 90249615

About N,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine

N,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine (PubChem CID 90249615) has the molecular formula C68H44N4 and a molecular weight of 917.13 g/mol. Its IUPAC name is N,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine.

Molecular Properties

• Compound Name: N,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
• PubChem CID: 90249615
• Molecular Formula: C68H44N4
• Molecular Weight: 917.13 g/mol
• Exact Mass: 916.36
• IUPAC Name: N,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
• SMILES: c1ccc(N(c2ccc(-c3cccc4c(N(c5ccccc5)c5cc6ccc7cccc8c7c6c(c5)n8-c5ccccc5)cccc34)cc2)c2cc3ccc4cccc5c4c3c(c2)n5-c2ccccc2)cc1
• InChI: InChI=1S/C68H44N4/c1-5-19-50(20-6-1)69(55-41-48-35-33-46-17-13-31-61-65(46)67(48)63(43-55)71(61)52-23-9-3-10-24-52)54-39-37-45(38-40-54)57-27-15-29-59-58(57)28-16-30-60(59)70(51-21-7-2-8-22-51)56-42-49-36-34-47-18-14-32-62-66(47)68(49)64(44-56)72(62)53-25-11-4-12-26-53/h1-44H
• InChIKey: AQTUEYQYLHYJBN-UHFFFAOYSA-N
• XLogP: 18.82
• TPSA: 16.34 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.13
LogP ≤ 5	18.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine?

The IUPAC name of N,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine (CID 90249615) is N,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine.

What is the SMILES notation for N,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine?

The canonical SMILES for N,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine is c1ccc(N(c2ccc(-c3cccc4c(N(c5ccccc5)c5cc6ccc7cccc8c7c6c(c5)n8-c5ccccc5)cccc34)cc2)c2cc3ccc4cccc5c4c3c(c2)n5-c2ccccc2)cc1.

What is the InChIKey of N,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine?

The InChIKey is AQTUEYQYLHYJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N4/c1-5-19-50(20-6-1)69(55-41-48-35-33-46-17-13-31-61-65(46)67(48)63(43-55)71(61)52-23-9-3-10-24-52)54-39-37-45(38-40-54)57-27-15-29-59-58(57)28-16-30-60(59)70(51-21-7-2-8-22-51)56-42-49-36-34-47-18-14-32-62-66(47)68(49)64(44-56)72(62)53-25-11-4-12-26-53/h1-44H.

What are the key properties of N,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine?

N,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine has a molecular weight of 917.13 g/mol, XLogP of 18.82, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,15-diphenyl-N-[4-[5-(N-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)anilino)naphthalen-1-yl]phenyl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine is sourced from PubChem (CID 90249615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).