15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine

C66H45N3 — CID 90125587

IUPAC15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)c6ccccc56)cc5ccc6cc(N(c7ccccc7)c7ccccc7)cc3c6c54)c2)cc1
InChIInChI=1S/C66H45N3/c1-7-21-46(22-8-1)50-40-51(47-23-9-2-10-24-47)43-57(42-50)69-63-44-52(59-37-38-62(61-34-20-19-33-60(59)61)68(55-29-15-5-16-30-55)56-31-17-6-18-32-56)39-48-35-36-49-41-58(45-64(69)66(49)65(48)63)67(53-25-11-3-12-26-53)54-27-13-4-14-28-54/h1-45H
InChIKeyUBFZWOCYCVTVEP-UHFFFAOYSA-N
MW880.11 g/mol
LogP18.47
Rot. Bonds10

About 15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine

15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine (PubChem CID 90125587) has the molecular formula C66H45N3 and a molecular weight of 880.11 g/mol. Its IUPAC name is 15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine.

Molecular Properties

Compound Name15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine
PubChem CID90125587
Molecular FormulaC66H45N3
Molecular Weight880.11 g/mol
Exact Mass879.36
IUPAC Name15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-n3c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)c6ccccc56)cc5ccc6cc(N(c7ccccc7)c7ccccc7)cc3c6c54)c2)cc1
InChIInChI=1S/C66H45N3/c1-7-21-46(22-8-1)50-40-51(47-23-9-2-10-24-47)43-57(42-50)69-63-44-52(59-37-38-62(61-34-20-19-33-60(59)61)68(55-29-15-5-16-30-55)56-31-17-6-18-32-56)39-48-35-36-49-41-58(45-64(69)66(49)65(48)63)67(53-25-11-3-12-26-53)54-27-13-4-14-28-54/h1-45H
InChIKeyUBFZWOCYCVTVEP-UHFFFAOYSA-N
XLogP18.47
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.11
LogP ≤ 518.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine with MolForge

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Related Compounds

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
N,N-dinaphthalen-2-yl-7-[4-[4-(N-phenylanilino)naphthalen-1-yl]phenyl]pyren-2-amine
CID 58078248
4-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-N,N-bis(4-phenylphenyl)naphthalen-1-amine;4-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]-N,N-diphenylnaphthalen-1-amine;N-[4-[4-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N,4-diphenylaniline;N-[4-[4-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-[3,5-bis(9-phenylcarbazol-2-yl)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 159471682
10-[9,9-dimethyl-7-(N-naphthalen-1-ylanilino)fluoren-2-yl]-N,N,15-triphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine
CID 90125563
N,3,5-triphenyl-N-[4-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3,5,7,11,13,15(23),16,18,20-undecaen-18-yl)phenyl]aniline
CID 88554974
N-[4-(3-carbazol-9-yl-5-phenylphenyl)phenyl]-6-phenyl-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 170272033
3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
CID 123267685
N,4-diphenyl-N-[4-(6-phenylnaphthalen-2-yl)phenyl]naphthalen-1-amine
CID 139352916
7-[3-(3,6-diphenylcarbazol-9-yl)-5-[7-(N-phenylanilino)naphthalen-2-yl]phenyl]-N,N-diphenylnaphthalen-2-amine
CID 89260596
4-N-[4-[15-(4-fluorophenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl]phenyl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 90148410
N-[4-(3-carbazol-9-yl-5-naphthalen-2-ylphenyl)phenyl]-4-naphthalen-2-yl-N-phenylaniline
CID 170271819
N-(4-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-4-phenylnaphthalen-1-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-6-phenylnaphthalen-2-amine;N-(4-carbazol-9-ylphenyl)-4-(4-naphthalen-2-ylphenyl)-N-(4-triphenylen-2-ylphenyl)aniline
CID 161037903

Frequently Asked Questions

What is the IUPAC name of 15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine?
The IUPAC name of 15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine (CID 90125587) is 15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine.
What is the SMILES notation for 15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine?
The canonical SMILES for 15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine is c1ccc(-c2cc(-c3ccccc3)cc(-n3c4cc(-c5ccc(N(c6ccccc6)c6ccccc6)c6ccccc56)cc5ccc6cc(N(c7ccccc7)c7ccccc7)cc3c6c54)c2)cc1.
What is the InChIKey of 15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine?
The InChIKey is UBFZWOCYCVTVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H45N3/c1-7-21-46(22-8-1)50-40-51(47-23-9-2-10-24-47)43-57(42-50)69-63-44-52(59-37-38-62(61-34-20-19-33-60(59)61)68(55-29-15-5-16-30-55)56-31-17-6-18-32-56)39-48-35-36-49-41-58(45-64(69)66(49)65(48)63)67(53-25-11-3-12-26-53)54-27-13-4-14-28-54/h1-45H.
What are the key properties of 15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine?
15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine has a molecular weight of 880.11 g/mol, XLogP of 18.47, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-(3,5-diphenylphenyl)-N,N-diphenyl-10-[4-(N-phenylanilino)naphthalen-1-yl]-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaen-3-amine is sourced from PubChem (CID 90125587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).