N-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine

C62H41N3 — CID 170379906

IUPACN-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5cccc6c5c5ccccc5n6-c5cccc6ccccc56)cc4)c23)cc1
InChIInChI=1S/C62H41N3/c1-2-16-43(17-3-1)50-26-12-20-45-21-13-27-51(61(45)50)44-34-36-46(37-35-44)63(47-38-40-48(41-39-47)64-56-28-9-6-23-52(56)53-24-7-10-29-57(53)64)59-32-15-33-60-62(59)54-25-8-11-30-58(54)65(60)55-31-14-19-42-18-4-5-22-49(42)55/h1-41H
InChIKeyOJCHJHODSWXLLT-UHFFFAOYSA-N
MW828.03 g/mol
LogP16.99
Rot. Bonds7

About N-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine

N-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine (PubChem CID 170379906) has the molecular formula C62H41N3 and a molecular weight of 828.03 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
PubChem CID170379906
Molecular FormulaC62H41N3
Molecular Weight828.03 g/mol
Exact Mass827.33
IUPAC NameN-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
SMILESc1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5cccc6c5c5ccccc5n6-c5cccc6ccccc56)cc4)c23)cc1
InChIInChI=1S/C62H41N3/c1-2-16-43(17-3-1)50-26-12-20-45-21-13-27-51(61(45)50)44-34-36-46(37-35-44)63(47-38-40-48(41-39-47)64-56-28-9-6-23-52(56)53-24-7-10-29-57(53)64)59-32-15-33-60-62(59)54-25-8-11-30-58(54)65(60)55-31-14-19-42-18-4-5-22-49(42)55/h1-41H
InChIKeyOJCHJHODSWXLLT-UHFFFAOYSA-N
XLogP16.99
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.03
LogP ≤ 516.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-9-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine
CID 168835696
9-naphthalen-1-yl-N-[4-(9-phenylcarbazol-4-yl)phenyl]-N-(2-phenylphenyl)carbazol-2-amine
CID 170286785
N-(2-carbazol-9-ylphenyl)-7-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]benzo[c]carbazol-10-amine
CID 169285459
5-(1-phenylbenzo[c]carbazol-7-yl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 177100828
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]-2-(8-phenylnaphthalen-1-yl)aniline
CID 170303156
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-4-phenyl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 168798366
4-[8-(4-carbazol-9-ylphenyl)naphthalen-1-yl]-N,N-diphenylaniline
CID 169016142
N,N-bis(4-naphthalen-1-ylphenyl)-9-phenylcarbazol-3-amine;N,N-bis(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-4-amine;9-naphthalen-1-yl-N,N-bis(4-naphthalen-1-ylphenyl)carbazol-4-amine;N-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-9-phenylcarbazol-3-amine
CID 157362791
N-(4-benzo[c]carbazol-7-ylphenyl)-N,2-bis(4-phenylphenyl)aniline
CID 167038136
N-[4-(2-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 139339073
N-[4-(2-benzo[c]carbazol-7-ylphenyl)phenyl]-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166897163

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine (CID 170379906) is N-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine is c1ccc(-c2cccc3cccc(-c4ccc(N(c5ccc(-n6c7ccccc7c7ccccc76)cc5)c5cccc6c5c5ccccc5n6-c5cccc6ccccc56)cc4)c23)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine?
The InChIKey is OJCHJHODSWXLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N3/c1-2-16-43(17-3-1)50-26-12-20-45-21-13-27-51(61(45)50)44-34-36-46(37-35-44)63(47-38-40-48(41-39-47)64-56-28-9-6-23-52(56)53-24-7-10-29-57(53)64)59-32-15-33-60-62(59)54-25-8-11-30-58(54)65(60)55-31-14-19-42-18-4-5-22-49(42)55/h1-41H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine?
N-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine has a molecular weight of 828.03 g/mol, XLogP of 16.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-9-naphthalen-1-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]carbazol-4-amine is sourced from PubChem (CID 170379906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).