3,4-bis(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-9,10-dihydrophenanthrene-2-carbonitrile

C35H34N2O2 — CID 23583444

IUPAC3,4-bis(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-9,10-dihydrophenanthrene-2-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N3CCC(C)CC3)c3c(c2-c2ccc(OC)cc2)-c2ccccc2CC3)cc1
InChIInChI=1S/C35H34N2O2/c1-23-18-20-37(21-19-23)35-30-17-12-24-6-4-5-7-29(24)34(30)33(26-10-15-28(39-3)16-11-26)32(31(35)22-36)25-8-13-27(38-2)14-9-25/h4-11,13-16,23H,12,17-21H2,1-3H3
InChIKeyADIKLFYKOKIUAF-UHFFFAOYSA-N
MW514.67 g/mol
LogP7.91
Rot. Bonds5

About 3,4-bis(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-9,10-dihydrophenanthrene-2-carbonitrile

3,4-bis(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-9,10-dihydrophenanthrene-2-carbonitrile (PubChem CID 23583444) has the molecular formula C35H34N2O2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 3,4-bis(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-9,10-dihydrophenanthrene-2-carbonitrile.

Molecular Properties

Compound Name3,4-bis(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-9,10-dihydrophenanthrene-2-carbonitrile
PubChem CID23583444
Molecular FormulaC35H34N2O2
Molecular Weight514.67 g/mol
Exact Mass514.26
IUPAC Name3,4-bis(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-9,10-dihydrophenanthrene-2-carbonitrile
SMILESCOc1ccc(-c2c(C#N)c(N3CCC(C)CC3)c3c(c2-c2ccc(OC)cc2)-c2ccccc2CC3)cc1
InChIInChI=1S/C35H34N2O2/c1-23-18-20-37(21-19-23)35-30-17-12-24-6-4-5-7-29(24)34(30)33(26-10-15-28(39-3)16-11-26)32(31(35)22-36)25-8-13-27(38-2)14-9-25/h4-11,13-16,23H,12,17-21H2,1-3H3
InChIKeyADIKLFYKOKIUAF-UHFFFAOYSA-N
XLogP7.91
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 57.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-bis(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-9,10-dihydrophenanthrene-2-carbonitrile 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

4-[(2S)-6-methylhept-5-en-2-yl]-1-(4-methylpiperidin-1-yl)-9,10-dihydrophenanthrene-2-carbonitrile
CID 102422975
3-(4-chlorophenyl)-1-piperidin-1-yl-9,10-dihydrophenanthrene-2-carbonitrile
CID 23583445
2-methoxy-4-(3,4,5-trimethoxyphenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 2826301
2-amino-4-(4-methoxyphenyl)-5-methyl-6-piperidin-1-ylbenzene-1,3-dicarbonitrile
CID 44591730
3-amino-1-(4-fluorophenyl)-9,10-dihydrophenanthrene-2,4-dicarbonitrile
CID 102084665
2-(4-methylpiperidin-1-yl)benzonitrile
CID 14931104
2-amino-4-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
CID 783110
2-amino-4-(4-methylpiperidin-1-yl)-6-naphthalen-2-ylpyridine-3-carbonitrile
CID 11824071
4-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 147099645
2-(4-methoxyphenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline
CID 12948315
8-methoxy-2-oxo-4-piperidin-1-yl-5,6-dihydro-3H-benzo[f]isoquinoline-1-carbonitrile
CID 24770247
2,3-bis(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethynyl]-9H-fluorene
CID 175281315

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-9,10-dihydrophenanthrene-2-carbonitrile?
The IUPAC name of 3,4-bis(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-9,10-dihydrophenanthrene-2-carbonitrile (CID 23583444) is 3,4-bis(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-9,10-dihydrophenanthrene-2-carbonitrile.
What is the SMILES notation for 3,4-bis(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-9,10-dihydrophenanthrene-2-carbonitrile?
The canonical SMILES for 3,4-bis(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-9,10-dihydrophenanthrene-2-carbonitrile is COc1ccc(-c2c(C#N)c(N3CCC(C)CC3)c3c(c2-c2ccc(OC)cc2)-c2ccccc2CC3)cc1.
What is the InChIKey of 3,4-bis(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-9,10-dihydrophenanthrene-2-carbonitrile?
The InChIKey is ADIKLFYKOKIUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2O2/c1-23-18-20-37(21-19-23)35-30-17-12-24-6-4-5-7-29(24)34(30)33(26-10-15-28(39-3)16-11-26)32(31(35)22-36)25-8-13-27(38-2)14-9-25/h4-11,13-16,23H,12,17-21H2,1-3H3.
What are the key properties of 3,4-bis(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-9,10-dihydrophenanthrene-2-carbonitrile?
3,4-bis(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-9,10-dihydrophenanthrene-2-carbonitrile has a molecular weight of 514.67 g/mol, XLogP of 7.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)-9,10-dihydrophenanthrene-2-carbonitrile is sourced from PubChem (CID 23583444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).