12-benzyl-8-phenyl-1,2,11,12-tetrahydrochrysene

C31H26 — CID 174859402

IUPAC12-benzyl-8-phenyl-1,2,11,12-tetrahydrochrysene
SMILESC1=CC2=C(CC1)C(Cc1ccccc1)Cc1c2ccc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C31H26/c1-3-9-22(10-4-1)19-26-21-31-28-17-15-24(23-11-5-2-6-12-23)20-25(28)16-18-30(31)29-14-8-7-13-27(26)29/h1-6,8-12,14-18,20,26H,7,13,19,21H2
InChIKeyMCIWIMKSGAOKDK-UHFFFAOYSA-N
MW398.55 g/mol
LogP8.03
Rot. Bonds3

About 12-benzyl-8-phenyl-1,2,11,12-tetrahydrochrysene

12-benzyl-8-phenyl-1,2,11,12-tetrahydrochrysene (PubChem CID 174859402) has the molecular formula C31H26 and a molecular weight of 398.55 g/mol. Its IUPAC name is 12-benzyl-8-phenyl-1,2,11,12-tetrahydrochrysene.

Molecular Properties

Compound Name12-benzyl-8-phenyl-1,2,11,12-tetrahydrochrysene
PubChem CID174859402
Molecular FormulaC31H26
Molecular Weight398.55 g/mol
Exact Mass398.20
IUPAC Name12-benzyl-8-phenyl-1,2,11,12-tetrahydrochrysene
SMILESC1=CC2=C(CC1)C(Cc1ccccc1)Cc1c2ccc2cc(-c3ccccc3)ccc12
InChIInChI=1S/C31H26/c1-3-9-22(10-4-1)19-26-21-31-28-17-15-24(23-11-5-2-6-12-23)20-25(28)16-18-30(31)29-14-8-7-13-27(26)29/h1-6,8-12,14-18,20,26H,7,13,19,21H2
InChIKeyMCIWIMKSGAOKDK-UHFFFAOYSA-N
XLogP8.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 12-benzyl-8-phenyl-1,2,11,12-tetrahydrochrysene 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

12-benzyl-8-cyclopropyl-1,2,11,12-tetrahydrochrysene;1,6-naphthyridine
CID 174859774
2-(5,6,7,8-tetrahydrochrysen-6-ylamino)naphthalen-1-ol
CID 175277096
1,6-naphthyridine;8-(4-phenylmethoxyphenyl)-1,2,11,12-tetrahydrochrysene
CID 174912201
(1S,2S)-2-benzyl-1,2,11,12-tetrahydrochrysen-1-amine
CID 174735552
10,10-dimethyl-17-naphthalen-2-yl-21-(4-naphthalen-1-ylphenyl)-14-phenyl-10-silapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1,3(11),4(9),5,12,14,16,18,20-nonaene
CID 91257303
8-methylsulfanyl-1,2,11,12-tetrahydrochrysene
CID 174806842
3,6-dihydro-2H-pyran;8-phenyl-1,2,3,11,12,12a-hexahydrochrysene
CID 174322564
3-(6-naphthalen-2-ylnaphthalen-2-yl)-9-phenylchrysene
CID 123868192
2-(4-naphthalen-2-ylphenyl)-7-[7-(4-phenylphenyl)phenanthren-2-yl]phenanthrene
CID 59629194
3,9-bis(3,5-diphenylphenyl)chrysene
CID 123616351
1-methyl-1,2,11,12-tetrahydrochrysene
CID 174752179
2-(7,8-dihydrophenanthren-3-yl)-6-phenanthren-3-yl-9,10-diphenylanthracene
CID 59766384

Frequently Asked Questions

What is the IUPAC name of 12-benzyl-8-phenyl-1,2,11,12-tetrahydrochrysene?
The IUPAC name of 12-benzyl-8-phenyl-1,2,11,12-tetrahydrochrysene (CID 174859402) is 12-benzyl-8-phenyl-1,2,11,12-tetrahydrochrysene.
What is the SMILES notation for 12-benzyl-8-phenyl-1,2,11,12-tetrahydrochrysene?
The canonical SMILES for 12-benzyl-8-phenyl-1,2,11,12-tetrahydrochrysene is C1=CC2=C(CC1)C(Cc1ccccc1)Cc1c2ccc2cc(-c3ccccc3)ccc12.
What is the InChIKey of 12-benzyl-8-phenyl-1,2,11,12-tetrahydrochrysene?
The InChIKey is MCIWIMKSGAOKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26/c1-3-9-22(10-4-1)19-26-21-31-28-17-15-24(23-11-5-2-6-12-23)20-25(28)16-18-30(31)29-14-8-7-13-27(26)29/h1-6,8-12,14-18,20,26H,7,13,19,21H2.
What are the key properties of 12-benzyl-8-phenyl-1,2,11,12-tetrahydrochrysene?
12-benzyl-8-phenyl-1,2,11,12-tetrahydrochrysene has a molecular weight of 398.55 g/mol, XLogP of 8.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 12-benzyl-8-phenyl-1,2,11,12-tetrahydrochrysene is sourced from PubChem (CID 174859402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).