7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine

C38H26N2 — CID 155034728

IUPAC7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(ccc4c3c3ccccc3n4-c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C38H26N2/c1-3-13-30(14-4-1)39(31-15-5-2-6-16-31)32-22-23-34-29(26-32)20-24-37-38(34)35-17-9-10-18-36(35)40(37)33-21-19-27-11-7-8-12-28(27)25-33/h1-26H
InChIKeyINLBHNOUHLDLPG-UHFFFAOYSA-N
MW510.64 g/mol
LogP10.56
Rot. Bonds4

About 7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine

7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine (PubChem CID 155034728) has the molecular formula C38H26N2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine.

Molecular Properties

Compound Name7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine
PubChem CID155034728
Molecular FormulaC38H26N2
Molecular Weight510.64 g/mol
Exact Mass510.21
IUPAC Name7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine
SMILESc1ccc(N(c2ccccc2)c2ccc3c(ccc4c3c3ccccc3n4-c3ccc4ccccc4c3)c2)cc1
InChIInChI=1S/C38H26N2/c1-3-13-30(14-4-1)39(31-15-5-2-6-16-31)32-22-23-34-29(26-32)20-24-37-38(34)35-17-9-10-18-36(35)40(37)33-21-19-27-11-7-8-12-28(27)25-33/h1-26H
InChIKeyINLBHNOUHLDLPG-UHFFFAOYSA-N
XLogP10.56
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine?
The IUPAC name of 7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine (CID 155034728) is 7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine.
What is the SMILES notation for 7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine?
The canonical SMILES for 7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine is c1ccc(N(c2ccccc2)c2ccc3c(ccc4c3c3ccccc3n4-c3ccc4ccccc4c3)c2)cc1.
What is the InChIKey of 7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine?
The InChIKey is INLBHNOUHLDLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26N2/c1-3-13-30(14-4-1)39(31-15-5-2-6-16-31)32-22-23-34-29(26-32)20-24-37-38(34)35-17-9-10-18-36(35)40(37)33-21-19-27-11-7-8-12-28(27)25-33/h1-26H.
What are the key properties of 7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine?
7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine has a molecular weight of 510.64 g/mol, XLogP of 10.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-naphthalen-2-yl-N,N-diphenylbenzo[c]carbazol-3-amine is sourced from PubChem (CID 155034728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).