N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine

C62H43N3 — CID 146228501

IUPACN-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc34)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C62H43N3/c1-4-19-45(20-5-1)54-26-14-16-30-59(54)64(51-37-32-44-18-10-11-21-47(44)42-51)50-35-33-46(34-36-50)53-40-41-61(56-28-13-12-27-55(53)56)63(48-22-6-2-7-23-48)52-38-39-58-57-29-15-17-31-60(57)65(62(58)43-52)49-24-8-3-9-25-49/h1-43H
InChIKeyRRJRXBLVYGBYSN-UHFFFAOYSA-N
MW830.05 g/mol
LogP17.36
Rot. Bonds9

About N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine

N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine (PubChem CID 146228501) has the molecular formula C62H43N3 and a molecular weight of 830.05 g/mol. Its IUPAC name is N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine.

Molecular Properties

Compound NameN-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
PubChem CID146228501
Molecular FormulaC62H43N3
Molecular Weight830.05 g/mol
Exact Mass829.35
IUPAC NameN-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc34)cc2)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C62H43N3/c1-4-19-45(20-5-1)54-26-14-16-30-59(54)64(51-37-32-44-18-10-11-21-47(44)42-51)50-35-33-46(34-36-50)53-40-41-61(56-28-13-12-27-55(53)56)63(48-22-6-2-7-23-48)52-38-39-58-57-29-15-17-31-60(57)65(62(58)43-52)49-24-8-3-9-25-49/h1-43H
InChIKeyRRJRXBLVYGBYSN-UHFFFAOYSA-N
XLogP17.36
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500830.05
LogP ≤ 517.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-(dinaphthalen-2-ylamino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine;N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine
CID 158749383
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 174258182
N-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 174258400
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 70938071
N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9-phenyl-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]carbazol-2-amine
CID 172501973
N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 170138786
N,9-diphenyl-N-[5-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]carbazol-2-amine;N-naphthalen-1-yl-9-phenyl-N-[5-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]carbazol-2-amine;9-phenyl-N-(2-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]carbazol-2-amine;9-phenyl-N-(4-phenylphenyl)-N-[5-[2,3,5,6-tetradeuterio-4-(N-naphthalen-2-ylanilino)phenyl]naphthalen-1-yl]carbazol-2-amine
CID 163951281
4-(4-carbazol-9-ylphenyl)-N,N-diphenylaniline;4-(4-carbazol-9-ylphenyl)-N-(4-naphthalen-1-ylphenyl)-N-phenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N,4-diphenylaniline;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-1-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-phenylnaphthalen-2-amine
CID 159528912
5-naphthalen-2-yl-9-phenyl-N-(4-phenylnaphthalen-1-yl)-N-(2-phenylphenyl)carbazol-2-amine
CID 169010505
N,9-bis(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 138668241
N-(4-methylphenyl)-N-[4-[4-(N-naphthalen-2-ylanilino)naphthalen-1-yl]phenyl]-9-phenylcarbazol-3-amine
CID 59181394
N-naphthalen-2-yl-N-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]naphthalen-1-yl]-9-phenylcarbazol-3-amine
CID 59181361

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine?
The IUPAC name of N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine (CID 146228501) is N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine.
What is the SMILES notation for N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine?
The canonical SMILES for N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine is c1ccc(-c2ccccc2N(c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c6ccccc6n(-c6ccccc6)c5c4)c4ccccc34)cc2)c2ccc3ccccc3c2)cc1.
What is the InChIKey of N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine?
The InChIKey is RRJRXBLVYGBYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H43N3/c1-4-19-45(20-5-1)54-26-14-16-30-59(54)64(51-37-32-44-18-10-11-21-47(44)42-51)50-35-33-46(34-36-50)53-40-41-61(56-28-13-12-27-55(53)56)63(48-22-6-2-7-23-48)52-38-39-58-57-29-15-17-31-60(57)65(62(58)43-52)49-24-8-3-9-25-49/h1-43H.
What are the key properties of N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine?
N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine has a molecular weight of 830.05 g/mol, XLogP of 17.36, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(N-naphthalen-2-yl-2-phenylanilino)phenyl]naphthalen-1-yl]-N,9-diphenylcarbazol-2-amine is sourced from PubChem (CID 146228501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).