N-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine

C40H29ClN2 — CID 67787000

IUPACN-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine
SMILESClc1cccc2c(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5Nc5ccccc5)cc4)cc3)cccc12
InChIInChI=1S/C40H29ClN2/c41-38-18-9-17-37-36(38)16-10-20-40(37)43(33-13-5-2-6-14-33)34-27-25-30(26-28-34)29-21-23-31(24-22-29)35-15-7-8-19-39(35)42-32-11-3-1-4-12-32/h1-28,42H
InChIKeyMBDZNRCLEIKHCR-UHFFFAOYSA-N
MW573.14 g/mol
LogP12.04
Rot. Bonds7

About N-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine

N-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine (PubChem CID 67787000) has the molecular formula C40H29ClN2 and a molecular weight of 573.14 g/mol. Its IUPAC name is N-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine
PubChem CID67787000
Molecular FormulaC40H29ClN2
Molecular Weight573.14 g/mol
Exact Mass572.20
IUPAC NameN-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine
SMILESClc1cccc2c(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5Nc5ccccc5)cc4)cc3)cccc12
InChIInChI=1S/C40H29ClN2/c41-38-18-9-17-37-36(38)16-10-20-40(37)43(33-13-5-2-6-14-33)34-27-25-30(26-28-34)29-21-23-31(24-22-29)35-15-7-8-19-39(35)42-32-11-3-1-4-12-32/h1-28,42H
InChIKeyMBDZNRCLEIKHCR-UHFFFAOYSA-N
XLogP12.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.14
LogP ≤ 512.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 129300972
N-phenyl-2-[4-(N-phenylanilino)phenyl]aniline
CID 22497353
9-(4-chlorophenyl)phenanthrene;N-(4-phenanthren-9-ylphenyl)-2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline;2-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 163683561
4-(4-anilinophenyl)-N,N-bis(4-phenylphenyl)naphthalen-1-amine
CID 59181360
1-N,4-N-dinaphthalen-1-yl-4-N-phenylbenzene-1,4-diamine
CID 66883350
1-N,3-N,5-N-tris[2-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,3,5-triamine
CID 22034592
2-(4-phenylphenyl)-N-[4-[4-[2-(4-phenylphenyl)anilino]phenyl]phenyl]aniline
CID 69449342
benzene;N,2-diphenylaniline
CID 175029921
2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline
CID 167288755
N-phenyl-2-[2-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 172502615
2-phenyl-N-[4-[4-(4-phenylanilino)phenyl]phenyl]aniline
CID 118616888
2-phenyl-N-(4-phenylphenyl)-N-[4-[2-[4-(4-phenyl-N-(2-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 121387002

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine?
The IUPAC name of N-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine (CID 67787000) is N-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine?
The canonical SMILES for N-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine is Clc1cccc2c(N(c3ccccc3)c3ccc(-c4ccc(-c5ccccc5Nc5ccccc5)cc4)cc3)cccc12.
What is the InChIKey of N-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine?
The InChIKey is MBDZNRCLEIKHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H29ClN2/c41-38-18-9-17-37-36(38)16-10-20-40(37)43(33-13-5-2-6-14-33)34-27-25-30(26-28-34)29-21-23-31(24-22-29)35-15-7-8-19-39(35)42-32-11-3-1-4-12-32/h1-28,42H.
What are the key properties of N-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine?
N-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine has a molecular weight of 573.14 g/mol, XLogP of 12.04, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-anilinophenyl)phenyl]phenyl]-5-chloro-N-phenylnaphthalen-1-amine is sourced from PubChem (CID 67787000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).