2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene

C29H29Cl — CID 174443793

IUPAC2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene
SMILESCCCCCC(Cc1ccc2ccccc2c1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C29H29Cl/c1-2-3-4-8-28(21-22-10-11-23-7-5-6-9-27(23)20-22)26-14-12-24(13-15-26)25-16-18-29(30)19-17-25/h5-7,9-20,28H,2-4,8,21H2,1H3
InChIKeyKNTHLDQACGUEEP-UHFFFAOYSA-N
MW413.00 g/mol
LogP9.07
Rot. Bonds8

About 2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene

2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene (PubChem CID 174443793) has the molecular formula C29H29Cl and a molecular weight of 413.00 g/mol. Its IUPAC name is 2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene.

Molecular Properties

Compound Name2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene
PubChem CID174443793
Molecular FormulaC29H29Cl
Molecular Weight413.00 g/mol
Exact Mass412.20
IUPAC Name2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene
SMILESCCCCCC(Cc1ccc2ccccc2c1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C29H29Cl/c1-2-3-4-8-28(21-22-10-11-23-7-5-6-9-27(23)20-22)26-14-12-24(13-15-26)25-16-18-29(30)19-17-25/h5-7,9-20,28H,2-4,8,21H2,1H3
InChIKeyKNTHLDQACGUEEP-UHFFFAOYSA-N
XLogP9.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.00
LogP ≤ 59.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-phenylheptyl)naphthalene
CID 174423017
4-(1-naphthalen-2-ylheptan-2-yl)benzonitrile
CID 174430429
2-[2-[4-(difluoromethoxy)phenyl]heptyl]naphthalene
CID 174412799
2-octan-3-ylnaphthalene
CID 14029920
N-ethyl-1-naphthalen-2-ylheptan-2-amine
CID 63527367
1-phenyltridecan-2-ylbenzene
CID 22919631
1-phenylundecan-2-ylbenzene
CID 22919994
4-(4-chlorophenyl)-3-(4-naphthalen-2-ylphenyl)butan-2-amine
CID 19073683
2-(4-chlorophenyl)undecan-1-ol
CID 79437648
2-(4-chlorophenyl)dodecan-1-amine
CID 79441361
ethane;2-hexylnaphthalene
CID 142191207
N-(1-naphthalen-2-ylpropan-2-yl)butan-1-amine
CID 82262424

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene?
The IUPAC name of 2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene (CID 174443793) is 2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene.
What is the SMILES notation for 2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene?
The canonical SMILES for 2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene is CCCCCC(Cc1ccc2ccccc2c1)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene?
The InChIKey is KNTHLDQACGUEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29Cl/c1-2-3-4-8-28(21-22-10-11-23-7-5-6-9-27(23)20-22)26-14-12-24(13-15-26)25-16-18-29(30)19-17-25/h5-7,9-20,28H,2-4,8,21H2,1H3.
What are the key properties of 2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene?
2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene has a molecular weight of 413.00 g/mol, XLogP of 9.07, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-chlorophenyl)phenyl]heptyl]naphthalene is sourced from PubChem (CID 174443793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).