1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine

C38H26Cl2N2 — CID 19842977

IUPAC1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESClc1ccc2c(N(c3ccccc3)c3ccc(N(c4ccccc4)c4cccc5cc(Cl)ccc45)cc3)cccc2c1
InChIInChI=1S/C38H26Cl2N2/c39-29-17-23-35-27(25-29)9-7-15-37(35)41(31-11-3-1-4-12-31)33-19-21-34(22-20-33)42(32-13-5-2-6-14-32)38-16-8-10-28-26-30(40)18-24-36(28)38/h1-26H
InChIKeyDAZLZQJUJRUFDW-UHFFFAOYSA-N
MW581.55 g/mol
LogP12.24
Rot. Bonds6

About 1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine

1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine (PubChem CID 19842977) has the molecular formula C38H26Cl2N2 and a molecular weight of 581.55 g/mol. Its IUPAC name is 1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
PubChem CID19842977
Molecular FormulaC38H26Cl2N2
Molecular Weight581.55 g/mol
Exact Mass580.15
IUPAC Name1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
SMILESClc1ccc2c(N(c3ccccc3)c3ccc(N(c4ccccc4)c4cccc5cc(Cl)ccc45)cc3)cccc2c1
InChIInChI=1S/C38H26Cl2N2/c39-29-17-23-35-27(25-29)9-7-15-37(35)41(31-11-3-1-4-12-31)33-19-21-34(22-20-33)42(32-13-5-2-6-14-32)38-16-8-10-28-26-30(40)18-24-36(28)38/h1-26H
InChIKeyDAZLZQJUJRUFDW-UHFFFAOYSA-N
XLogP12.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.55
LogP ≤ 512.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-N-phenylnaphthalen-1-amine
CID 166960066
N-[4-(4-chlorophenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 16755311
N-(4-chlorophenyl)-N-phenylpyren-1-amine
CID 88558472
N-(4-chlorophenyl)-N-(4-phenylphenyl)naphthalen-1-amine
CID 142730115
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
7-chloro-N-naphthalen-1-yl-N-phenyldibenzothiophen-2-amine
CID 155773213
4-N-naphthalen-1-yl-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 22218375
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
N,N-diphenylnaphthalen-1-amine
CID 11392281
2-N,7-N-dinaphthalen-1-yl-2-N-[4-[4-[naphthalen-1-yl-[7-(N-naphthalen-1-ylanilino)phenanthren-2-yl]amino]phenyl]phenyl]-7-N-phenylphenanthrene-2,7-diamine
CID 58807472
1-N,4-N-dinaphthalen-1-yl-4-N-[4-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-1-ylanilino)anilino]phenyl]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 58612738
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 1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine?
The IUPAC name of 1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine (CID 19842977) is 1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine.
What is the SMILES notation for 1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine?
The canonical SMILES for 1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine is Clc1ccc2c(N(c3ccccc3)c3ccc(N(c4ccccc4)c4cccc5cc(Cl)ccc45)cc3)cccc2c1.
What is the InChIKey of 1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine?
The InChIKey is DAZLZQJUJRUFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H26Cl2N2/c39-29-17-23-35-27(25-29)9-7-15-37(35)41(31-11-3-1-4-12-31)33-19-21-34(22-20-33)42(32-13-5-2-6-14-32)38-16-8-10-28-26-30(40)18-24-36(28)38/h1-26H.
What are the key properties of 1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine?
1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine has a molecular weight of 581.55 g/mol, XLogP of 12.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine is sourced from PubChem (CID 19842977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).