2-chloro-N-naphthalen-1-yl-N-phenyl-1H-indol-4-amine

C24H17ClN2 — CID 170936574

IUPAC2-chloro-N-naphthalen-1-yl-N-phenyl-1H-indol-4-amine
SMILESClc1cc2c(N(c3ccccc3)c3cccc4ccccc34)cccc2[nH]1
InChIInChI=1S/C24H17ClN2/c25-24-16-20-21(26-24)13-7-15-23(20)27(18-10-2-1-3-11-18)22-14-6-9-17-8-4-5-12-19(17)22/h1-16,26H
InChIKeyMKZDODCMMDKRFO-UHFFFAOYSA-N
MW368.87 g/mol
LogP7.44
Rot. Bonds3

About 2-chloro-N-naphthalen-1-yl-N-phenyl-1H-indol-4-amine

2-chloro-N-naphthalen-1-yl-N-phenyl-1H-indol-4-amine (PubChem CID 170936574) has the molecular formula C24H17ClN2 and a molecular weight of 368.87 g/mol. Its IUPAC name is 2-chloro-N-naphthalen-1-yl-N-phenyl-1H-indol-4-amine.

Molecular Properties

Compound Name2-chloro-N-naphthalen-1-yl-N-phenyl-1H-indol-4-amine
PubChem CID170936574
Molecular FormulaC24H17ClN2
Molecular Weight368.87 g/mol
Exact Mass368.11
IUPAC Name2-chloro-N-naphthalen-1-yl-N-phenyl-1H-indol-4-amine
SMILESClc1cc2c(N(c3ccccc3)c3cccc4ccccc34)cccc2[nH]1
InChIInChI=1S/C24H17ClN2/c25-24-16-20-21(26-24)13-7-15-23(20)27(18-10-2-1-3-11-18)22-14-6-9-17-8-4-5-12-19(17)22/h1-16,26H
InChIKeyMKZDODCMMDKRFO-UHFFFAOYSA-N
XLogP7.44
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.87
LogP ≤ 57.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-chlorophenyl)-N-phenylnaphthalen-1-amine
CID 138519823
N,N-diphenylnaphthalen-1-amine
CID 11392281
N-(3-chlorophenyl)-N-phenylnaphthalen-1-amine
CID 166960066
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 87744556
1-N-[4-[4-(N-naphthalen-1-ylanilino)-N-[4-(N-naphthalen-1-ylanilino)phenyl]anilino]phenyl]-1-N,4-N,4-N-tris[4-(N-naphthalen-1-ylanilino)phenyl]benzene-1,4-diamine
CID 122607218
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
9-N,10-N-dinaphthalen-1-yl-9-N,10-N-diphenylanthracene-9,10-diamine
CID 20665521
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
N-[4-(4-chlorophenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 16755311
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
N-[3-[10-[3-[10-[3-(N-naphthalen-1-ylanilino)phenyl]anthracen-9-yl]phenyl]anthracen-9-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 59194309
1,1'-biphenyl;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 172802336

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-naphthalen-1-yl-N-phenyl-1H-indol-4-amine?
The IUPAC name of 2-chloro-N-naphthalen-1-yl-N-phenyl-1H-indol-4-amine (CID 170936574) is 2-chloro-N-naphthalen-1-yl-N-phenyl-1H-indol-4-amine.
What is the SMILES notation for 2-chloro-N-naphthalen-1-yl-N-phenyl-1H-indol-4-amine?
The canonical SMILES for 2-chloro-N-naphthalen-1-yl-N-phenyl-1H-indol-4-amine is Clc1cc2c(N(c3ccccc3)c3cccc4ccccc34)cccc2[nH]1.
What is the InChIKey of 2-chloro-N-naphthalen-1-yl-N-phenyl-1H-indol-4-amine?
The InChIKey is MKZDODCMMDKRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN2/c25-24-16-20-21(26-24)13-7-15-23(20)27(18-10-2-1-3-11-18)22-14-6-9-17-8-4-5-12-19(17)22/h1-16,26H.
What are the key properties of 2-chloro-N-naphthalen-1-yl-N-phenyl-1H-indol-4-amine?
2-chloro-N-naphthalen-1-yl-N-phenyl-1H-indol-4-amine has a molecular weight of 368.87 g/mol, XLogP of 7.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-naphthalen-1-yl-N-phenyl-1H-indol-4-amine is sourced from PubChem (CID 170936574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).