N-[3-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine

C60H40N2 — CID 167195327

IUPACN-[3-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2cccc3c4c(-c5cccc(N(c6ccc(-c7ccc8ccccc8c7)cc6)c6ccc7c(ccc8ccccc87)c6)c5)cccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C60H40N2/c1-3-15-43(16-4-1)56-25-12-26-57-59-55(24-13-27-58(59)62(60(56)57)49-20-5-2-6-21-49)47-19-11-22-51(39-47)61(52-36-37-54-48(40-52)31-29-44-17-9-10-23-53(44)54)50-34-32-42(33-35-50)46-30-28-41-14-7-8-18-45(41)38-46/h1-40H
InChIKeyUOWFACTYMFAKCU-UHFFFAOYSA-N
MW788.99 g/mol
LogP16.71
Rot. Bonds7

About N-[3-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine

N-[3-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine (PubChem CID 167195327) has the molecular formula C60H40N2 and a molecular weight of 788.99 g/mol. Its IUPAC name is N-[3-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine.

Molecular Properties

Compound NameN-[3-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine
PubChem CID167195327
Molecular FormulaC60H40N2
Molecular Weight788.99 g/mol
Exact Mass788.32
IUPAC NameN-[3-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine
SMILESc1ccc(-c2cccc3c4c(-c5cccc(N(c6ccc(-c7ccc8ccccc8c7)cc6)c6ccc7c(ccc8ccccc87)c6)c5)cccc4n(-c4ccccc4)c23)cc1
InChIInChI=1S/C60H40N2/c1-3-15-43(16-4-1)56-25-12-26-57-59-55(24-13-27-58(59)62(60(56)57)49-20-5-2-6-21-49)47-19-11-22-51(39-47)61(52-36-37-54-48(40-52)31-29-44-17-9-10-23-53(44)54)50-34-32-42(33-35-50)46-30-28-41-14-7-8-18-45(41)38-46/h1-40H
InChIKeyUOWFACTYMFAKCU-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-(4-phenanthren-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-2-amine
CID 166659919
3-(1,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-2-ylphenyl)-N-(4-phenanthren-2-ylphenyl)aniline
CID 166659546
3-(5,9-diphenylcarbazol-4-yl)-N-(4-phenanthren-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660170
N-(4-phenanthren-2-ylphenyl)-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
CID 166660133
3-(11-phenylbenzo[a]carbazol-7-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166660260
3-(8,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 166659528
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-(4-phenanthren-2-ylphenyl)-3-(5-phenylbenzo[b]carbazol-1-yl)aniline
CID 166660110
3-(7,9-diphenylcarbazol-4-yl)-N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)aniline
CID 166659601
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(5-phenylbenzo[b]carbazol-1-yl)phenyl]phenanthren-2-amine
CID 166660118
N-(4-naphthalen-2-ylphenyl)-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 167195790
N-[3-(6,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-1-ylphenyl)phenanthren-2-amine
CID 166660445
N-(4-phenanthren-2-ylphenyl)-N-phenyl-3-(7-phenylbenzo[c]carbazol-11-yl)aniline
CID 167196251

Frequently Asked Questions

What is the IUPAC name of N-[3-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine?
The IUPAC name of N-[3-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine (CID 167195327) is N-[3-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine.
What is the SMILES notation for N-[3-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine?
The canonical SMILES for N-[3-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine is c1ccc(-c2cccc3c4c(-c5cccc(N(c6ccc(-c7ccc8ccccc8c7)cc6)c6ccc7c(ccc8ccccc87)c6)c5)cccc4n(-c4ccccc4)c23)cc1.
What is the InChIKey of N-[3-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine?
The InChIKey is UOWFACTYMFAKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H40N2/c1-3-15-43(16-4-1)56-25-12-26-57-59-55(24-13-27-58(59)62(60(56)57)49-20-5-2-6-21-49)47-19-11-22-51(39-47)61(52-36-37-54-48(40-52)31-29-44-17-9-10-23-53(44)54)50-34-32-42(33-35-50)46-30-28-41-14-7-8-18-45(41)38-46/h1-40H.
What are the key properties of N-[3-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine?
N-[3-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-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-(8,9-diphenylcarbazol-4-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)phenanthren-2-amine is sourced from PubChem (CID 167195327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).