N-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine

C23H19N — CID 147468475

IUPACN-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine
SMILESC1=CC2C(C=C1)C2Nc1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C23H19N/c1-2-8-19-16(6-1)7-5-11-20(19)17-12-14-18(15-13-17)24-23-21-9-3-4-10-22(21)23/h1-15,21-24H
InChIKeyFBHIOUMNWMUNQK-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.66
Rot. Bonds3

About N-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine

N-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine (PubChem CID 147468475) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine
PubChem CID147468475
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC NameN-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine
SMILESC1=CC2C(C=C1)C2Nc1ccc(-c2cccc3ccccc23)cc1
InChIInChI=1S/C23H19N/c1-2-8-19-16(6-1)7-5-11-20(19)17-12-14-18(15-13-17)24-23-21-9-3-4-10-22(21)23/h1-15,21-24H
InChIKeyFBHIOUMNWMUNQK-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(6-methyl-4-phenylcyclohexa-2,4-dien-1-yl)-4-naphthalen-1-ylaniline
CID 129301196
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
4-naphthalen-1-yl-N-[(4-naphthalen-1-ylanilino)oxy-phenylboranyl]oxyaniline
CID 87470103
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
1-[4-(2,3-dimethylphenyl)phenyl]naphthalene
CID 171799142
N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 134359527
1-chloro-3-(4-naphthalen-1-ylanilino)propan-2-ol
CID 168636588
1,3,6,8-tetrakis(4-naphthalen-1-ylphenyl)pyrene
CID 59391173
4-naphthalen-1-yl-N-(4-naphthalen-1-ylcyclohexa-1,5-dien-1-yl)aniline
CID 154955104
ethane;1-(4-ethylphenyl)naphthalene
CID 143262541
2,3,5-trimethyl-6-(4-naphthalen-1-ylphenyl)pyrazine
CID 58461112

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine (CID 147468475) is N-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine is C1=CC2C(C=C1)C2Nc1ccc(-c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine?
The InChIKey is FBHIOUMNWMUNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N/c1-2-8-19-16(6-1)7-5-11-20(19)17-12-14-18(15-13-17)24-23-21-9-3-4-10-22(21)23/h1-15,21-24H.
What are the key properties of N-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine?
N-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine has a molecular weight of 309.41 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)bicyclo[4.1.0]hepta-2,4-dien-7-amine is sourced from PubChem (CID 147468475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).