N-(3,5-diphenylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-9-amine

C60H40N2 — CID 167195326

IUPACN-(3,5-diphenylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3cccc(-c4cccc5c4c4cc6ccccc6cc4n5-c4ccccc4)c3)c3cc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C60H40N2/c1-4-18-41(19-5-1)47-34-48(42-20-6-2-7-21-42)37-51(36-47)61(58-40-46-24-12-13-29-52(46)54-30-14-15-31-55(54)58)50-28-16-25-45(35-50)53-32-17-33-57-60(53)56-38-43-22-10-11-23-44(43)39-59(56)62(57)49-26-8-3-9-27-49/h1-40H
InChIKeyCJSAYRHOVCCENB-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.71
Rot. Bonds7

About N-(3,5-diphenylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-9-amine

N-(3,5-diphenylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-9-amine (PubChem CID 167195326) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is N-(3,5-diphenylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-9-amine.

Molecular Properties

Compound NameN-(3,5-diphenylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-9-amine
PubChem CID167195326
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC NameN-(3,5-diphenylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-9-amine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(N(c3cccc(-c4cccc5c4c4cc6ccccc6cc4n5-c4ccccc4)c3)c3cc4ccccc4c4ccccc34)c2)cc1
InChIInChI=1S/C60H40N2/c1-4-18-41(19-5-1)47-34-48(42-20-6-2-7-21-42)37-51(36-47)61(58-40-46-24-12-13-29-52(46)54-30-14-15-31-55(54)58)50-28-16-25-45(35-50)53-32-17-33-57-60(53)56-38-43-22-10-11-23-44(43)39-59(56)62(57)49-26-8-3-9-27-49/h1-40H
InChIKeyCJSAYRHOVCCENB-UHFFFAOYSA-N
XLogP16.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.99
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 167195026
N-(4-phenanthren-9-ylphenyl)-3-(5-phenylbenzo[b]carbazol-1-yl)-N-(4-phenylphenyl)aniline
CID 166659742
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660112
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
CID 166660118
N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
CID 166660133
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660110
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-9-amine
CID 166660529
3-phenyl-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166659718
N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)-N-[4-(2-phenylphenyl)phenyl]aniline
CID 166659728
N-phenanthren-9-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]phenanthren-2-amine
CID 167196235
N-(4-naphthalen-2-ylphenyl)-N-phenyl-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 167196209
N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 166847774

Frequently Asked Questions

What is the IUPAC name of N-(3,5-diphenylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-9-amine?
The IUPAC name of N-(3,5-diphenylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-9-amine (CID 167195326) is N-(3,5-diphenylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-9-amine.
What is the SMILES notation for N-(3,5-diphenylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-9-amine?
The canonical SMILES for N-(3,5-diphenylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-9-amine is c1ccc(-c2cc(-c3ccccc3)cc(N(c3cccc(-c4cccc5c4c4cc6ccccc6cc4n5-c4ccccc4)c3)c3cc4ccccc4c4ccccc34)c2)cc1.
What is the InChIKey of N-(3,5-diphenylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-9-amine?
The InChIKey is CJSAYRHOVCCENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-4-18-41(19-5-1)47-34-48(42-20-6-2-7-21-42)37-51(36-47)61(58-40-46-24-12-13-29-52(46)54-30-14-15-31-55(54)58)50-28-16-25-45(35-50)53-32-17-33-57-60(53)56-38-43-22-10-11-23-44(43)39-59(56)62(57)49-26-8-3-9-27-49/h1-40H.
What are the key properties of N-(3,5-diphenylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-9-amine?
N-(3,5-diphenylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-9-amine has a molecular weight of 788.99 g/mol, XLogP of 16.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-diphenylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-9-amine is sourced from PubChem (CID 167195326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).