4-naphthalen-1-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)aniline

C32H25N — CID 154955104

IUPAC4-naphthalen-1-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)aniline
SMILESC1=CC(c2cccc3ccccc23)CC=C1Nc1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C32H25N/c1-3-11-29-23(7-1)9-5-13-31(29)25-15-19-27(20-16-25)33-28-21-17-26(18-22-28)32-14-6-10-24-8-2-4-12-30(24)32/h1-17,19-22,26,33H,18H2
InChIKeyCYYZCPCQLVRNEG-UHFFFAOYSA-N
MW423.56 g/mol
LogP8.70
Rot. Bonds4

About 4-naphthalen-1-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)aniline

4-naphthalen-1-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)aniline (PubChem CID 154955104) has the molecular formula C32H25N and a molecular weight of 423.56 g/mol. Its IUPAC name is 4-naphthalen-1-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)aniline.

Molecular Properties

Compound Name4-naphthalen-1-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)aniline
PubChem CID154955104
Molecular FormulaC32H25N
Molecular Weight423.56 g/mol
Exact Mass423.20
IUPAC Name4-naphthalen-1-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)aniline
SMILESC1=CC(c2cccc3ccccc23)CC=C1Nc1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C32H25N/c1-3-11-29-23(7-1)9-5-13-31(29)25-15-19-27(20-16-25)33-28-21-17-26(18-22-28)32-14-6-10-24-8-2-4-12-30(24)32/h1-17,19-22,26,33H,18H2
InChIKeyCYYZCPCQLVRNEG-UHFFFAOYSA-N
XLogP8.70
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 ≤ 58.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 134359527
7-naphthalen-1-yl-N-phenylnaphthalen-2-amine
CID 166714630
N-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine
CID 147468475
N-[4-[2-naphthalen-1-yl-4-(naphthalen-2-ylamino)phenyl]phenyl]naphthalen-2-amine
CID 141423625
3-(4-naphthalen-1-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 166769727
2,3,4,5-tetradeuterio-6-[10-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)anthracen-9-yl]phenol
CID 169044138
10-(3-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)-9-(3-naphthalen-1-ylphenyl)-2-(2-phenylphenyl)anthracene
CID 143060198
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
5-naphthalen-1-yl-N,2-diphenylaniline
CID 175302178
N-(4-methylcyclohexa-1,5-dien-1-yl)aniline
CID 129261105
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)aniline?
The IUPAC name of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)aniline (CID 154955104) is 4-naphthalen-1-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)aniline.
What is the SMILES notation for 4-naphthalen-1-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)aniline?
The canonical SMILES for 4-naphthalen-1-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)aniline is C1=CC(c2cccc3ccccc23)CC=C1Nc1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)aniline?
The InChIKey is CYYZCPCQLVRNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N/c1-3-11-29-23(7-1)9-5-13-31(29)25-15-19-27(20-16-25)33-28-21-17-26(18-22-28)32-14-6-10-24-8-2-4-12-30(24)32/h1-17,19-22,26,33H,18H2.
What are the key properties of 4-naphthalen-1-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)aniline?
4-naphthalen-1-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)aniline has a molecular weight of 423.56 g/mol, XLogP of 8.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)aniline is sourced from PubChem (CID 154955104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).