7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene

C50H54 — CID 162014078

IUPAC7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene
SMILESCCCC1CCC(c2ccc(-c3ccc4cccc(-c5cccc6ccc(-c7ccc(C8CCC(CCC)CC8)cc7)cc56)c4c3)cc2)CC1
InChIInChI=1S/C50H54/c1-3-7-35-13-17-37(18-14-35)39-21-25-41(26-22-39)45-31-29-43-9-5-11-47(49(43)33-45)48-12-6-10-44-30-32-46(34-50(44)48)42-27-23-40(24-28-42)38-19-15-36(8-4-2)16-20-38/h5-6,9-12,21-38H,3-4,7-8,13-20H2,1-2H3
InChIKeyYTWDPSWZORIKIU-UHFFFAOYSA-N
MW654.98 g/mol
LogP15.14
Rot. Bonds9

About 7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene

7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene (PubChem CID 162014078) has the molecular formula C50H54 and a molecular weight of 654.98 g/mol. Its IUPAC name is 7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene
PubChem CID162014078
Molecular FormulaC50H54
Molecular Weight654.98 g/mol
Exact Mass654.42
IUPAC Name7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene
SMILESCCCC1CCC(c2ccc(-c3ccc4cccc(-c5cccc6ccc(-c7ccc(C8CCC(CCC)CC8)cc7)cc56)c4c3)cc2)CC1
InChIInChI=1S/C50H54/c1-3-7-35-13-17-37(18-14-35)39-21-25-41(26-22-39)45-31-29-43-9-5-11-47(49(43)33-45)48-12-6-10-44-30-32-46(34-50(44)48)42-27-23-40(24-28-42)38-19-15-36(8-4-2)16-20-38/h5-6,9-12,21-38H,3-4,7-8,13-20H2,1-2H3
InChIKeyYTWDPSWZORIKIU-UHFFFAOYSA-N
XLogP15.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.98
LogP ≤ 515.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]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

7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]-1H-naphthalene-2,2-diol
CID 126752022
1-phenyl-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 54467761
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile
CID 22590745
2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene
CID 21265243
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
(4-propylcyclohexyl)benzene
CID 155887669
2-methyl-4-[4-(4-nonylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 19008131
14-(4-pentylcyclohexyl)-5,23-bis[4-(4-propylcyclohexyl)phenyl]-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3(8),4,6,9,18,20(25),21,23-decaene
CID 135351713

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene?
The IUPAC name of 7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene (CID 162014078) is 7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene.
What is the SMILES notation for 7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene?
The canonical SMILES for 7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene is CCCC1CCC(c2ccc(-c3ccc4cccc(-c5cccc6ccc(-c7ccc(C8CCC(CCC)CC8)cc7)cc56)c4c3)cc2)CC1.
What is the InChIKey of 7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene?
The InChIKey is YTWDPSWZORIKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H54/c1-3-7-35-13-17-37(18-14-35)39-21-25-41(26-22-39)45-31-29-43-9-5-11-47(49(43)33-45)48-12-6-10-44-30-32-46(34-50(44)48)42-27-23-40(24-28-42)38-19-15-36(8-4-2)16-20-38/h5-6,9-12,21-38H,3-4,7-8,13-20H2,1-2H3.
What are the key properties of 7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene?
7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene has a molecular weight of 654.98 g/mol, XLogP of 15.14, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene is sourced from PubChem (CID 162014078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).