4-naphthalen-2-yl-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)aniline

C32H25N — CID 70902493

IUPAC4-naphthalen-2-yl-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)aniline
SMILESC1=CC(Nc2ccc(-c3ccc4ccccc4c3)cc2)CC=C1c1ccc2ccccc2c1
InChIInChI=1S/C32H25N/c1-3-7-27-21-29(11-9-23(27)5-1)25-13-17-31(18-14-25)33-32-19-15-26(16-20-32)30-12-10-24-6-2-4-8-28(24)22-30/h1-19,21-22,32-33H,20H2
InChIKeyMBSBOQAMPZSMLL-UHFFFAOYSA-N
MW423.56 g/mol
LogP8.48
Rot. Bonds4

About 4-naphthalen-2-yl-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)aniline

4-naphthalen-2-yl-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)aniline (PubChem CID 70902493) has the molecular formula C32H25N and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)aniline.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)aniline
PubChem CID70902493
Molecular FormulaC32H25N
Molecular Weight423.56 g/mol
Exact Mass423.20
IUPAC Name4-naphthalen-2-yl-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)aniline
SMILESC1=CC(Nc2ccc(-c3ccc4ccccc4c3)cc2)CC=C1c1ccc2ccccc2c1
InChIInChI=1S/C32H25N/c1-3-7-27-21-29(11-9-23(27)5-1)25-13-17-31(18-14-25)33-32-19-15-26(16-20-32)30-12-10-24-6-2-4-8-28(24)22-30/h1-19,21-22,32-33H,20H2
InChIKeyMBSBOQAMPZSMLL-UHFFFAOYSA-N
XLogP8.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 58.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-methylcyclohexa-2,4-dien-1-yl)-4-phenylaniline
CID 59523962
9,9-dimethyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)fluoren-2-amine
CID 118369414
2-(4-methylcyclohexa-1,5-dien-1-yl)-9,10-dinaphthalen-2-ylanthracene
CID 143250486
N-(2,3-dihydronaphthalen-2-yl)naphthalen-2-amine
CID 70894513
benzo[f]azulene
CID 13065869
2-cyclohexa-1,5-dien-1-ylnaphthalene;ethane
CID 144938588
N-(4-chlorophenyl)-4-naphthalen-2-ylaniline
CID 58202585
N-(4-cyclohexa-1,5-dien-1-ylphenyl)naphthalen-2-amine
CID 146594518
9-phenyl-N-(4-phenylcyclohexa-2,4-dien-1-yl)-5,6-dihydrocarbazol-2-amine
CID 166894516
6-chrysen-6-yl-4-naphthalen-2-yl-N-phenylcyclohexa-2,4-dien-1-amine
CID 170145772
6-[7-(4-bromophenyl)naphthalen-2-yl]-N-(4-naphthalen-2-ylphenyl)naphthalen-2-amine
CID 156573110
6-naphthalen-2-ylisoquinoline
CID 59724414

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)aniline?
The IUPAC name of 4-naphthalen-2-yl-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)aniline (CID 70902493) is 4-naphthalen-2-yl-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)aniline.
What is the SMILES notation for 4-naphthalen-2-yl-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)aniline?
The canonical SMILES for 4-naphthalen-2-yl-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)aniline is C1=CC(Nc2ccc(-c3ccc4ccccc4c3)cc2)CC=C1c1ccc2ccccc2c1.
What is the InChIKey of 4-naphthalen-2-yl-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)aniline?
The InChIKey is MBSBOQAMPZSMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N/c1-3-7-27-21-29(11-9-23(27)5-1)25-13-17-31(18-14-25)33-32-19-15-26(16-20-32)30-12-10-24-6-2-4-8-28(24)22-30/h1-19,21-22,32-33H,20H2.
What are the key properties of 4-naphthalen-2-yl-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)aniline?
4-naphthalen-2-yl-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)aniline has a molecular weight of 423.56 g/mol, XLogP of 8.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-(4-naphthalen-2-ylcyclohexa-2,4-dien-1-yl)aniline is sourced from PubChem (CID 70902493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).