N-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine

C39H28N2 — CID 126631424

IUPACN-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine
SMILESCn1c2cc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)ccc2c2cc3ccccc3cc21
InChIInChI=1S/C39H28N2/c1-40-38-26-32(18-22-36(38)37-24-30-11-7-8-12-31(30)25-39(37)40)28-15-19-34(20-16-28)41(33-13-3-2-4-14-33)35-21-17-27-9-5-6-10-29(27)23-35/h2-26H,1H3
InChIKeyZISLWGLSVUJECO-UHFFFAOYSA-N
MW524.67 g/mol
LogP10.77
Rot. Bonds4

About N-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine

N-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine (PubChem CID 126631424) has the molecular formula C39H28N2 and a molecular weight of 524.67 g/mol. Its IUPAC name is N-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine
PubChem CID126631424
Molecular FormulaC39H28N2
Molecular Weight524.67 g/mol
Exact Mass524.23
IUPAC NameN-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine
SMILESCn1c2cc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)ccc2c2cc3ccccc3cc21
InChIInChI=1S/C39H28N2/c1-40-38-26-32(18-22-36(38)37-24-30-11-7-8-12-31(30)25-39(37)40)28-15-19-34(20-16-28)41(33-13-3-2-4-14-33)35-21-17-27-9-5-6-10-29(27)23-35/h2-26H,1H3
InChIKeyZISLWGLSVUJECO-UHFFFAOYSA-N
XLogP10.77
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.67
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(7-methylbenzo[g]carbazol-9-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 126631425
N-[4-(9-methylcarbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine
CID 126631436
N-[4-[4-(5-methylbenzo[b]carbazol-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 126631207
9-methyl-2-N,2-N,7-N,7-N-tetraphenylcarbazole-2,7-diamine
CID 121465213
4-(7-methylbenzo[g]carbazol-9-yl)-N,N-diphenylaniline
CID 126631165
7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine
CID 146573850
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]naphthalen-2-amine;N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline
CID 160607838
N-[4-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 58905935
21-methyl-N-naphthalen-2-yl-N-phenyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaen-18-amine
CID 126631430
N-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine
CID 118505881
9-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N,7-diphenylcarbazol-2-amine
CID 146573551
N-[4-[4-(4-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 142369334

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine?
The IUPAC name of N-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine (CID 126631424) is N-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine.
What is the SMILES notation for N-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine?
The canonical SMILES for N-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine is Cn1c2cc(-c3ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc3)ccc2c2cc3ccccc3cc21.
What is the InChIKey of N-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine?
The InChIKey is ZISLWGLSVUJECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H28N2/c1-40-38-26-32(18-22-36(38)37-24-30-11-7-8-12-31(30)25-39(37)40)28-15-19-34(20-16-28)41(33-13-3-2-4-14-33)35-21-17-27-9-5-6-10-29(27)23-35/h2-26H,1H3.
What are the key properties of N-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine?
N-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine has a molecular weight of 524.67 g/mol, XLogP of 10.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methylbenzo[b]carbazol-3-yl)phenyl]-N-phenylnaphthalen-2-amine is sourced from PubChem (CID 126631424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).