9-[4-[4-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene

C40H28 — CID 142066915

IUPAC9-[4-[4-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene
SMILESc1ccc2c(c1)CC(c1ccc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc1)c1ccccc1-2
InChIInChI=1S/C40H28/c1-3-11-33-31(9-1)25-39(37-15-7-5-13-35(33)37)29-21-17-27(18-22-29)28-19-23-30(24-20-28)40-26-32-10-2-4-12-34(32)36-14-6-8-16-38(36)40/h1-25,40H,26H2
InChIKeyWGFRDSNGZRDNTP-UHFFFAOYSA-N
MW508.66 g/mol
LogP10.68
Rot. Bonds3

About 9-[4-[4-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene

9-[4-[4-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene (PubChem CID 142066915) has the molecular formula C40H28 and a molecular weight of 508.66 g/mol. Its IUPAC name is 9-[4-[4-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene.

Molecular Properties

Compound Name9-[4-[4-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene
PubChem CID142066915
Molecular FormulaC40H28
Molecular Weight508.66 g/mol
Exact Mass508.22
IUPAC Name9-[4-[4-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene
SMILESc1ccc2c(c1)CC(c1ccc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc1)c1ccccc1-2
InChIInChI=1S/C40H28/c1-3-11-33-31(9-1)25-39(37-15-7-5-13-35(33)37)29-21-17-27(18-22-29)28-19-23-30(24-20-28)40-26-32-10-2-4-12-34(32)36-14-6-8-16-38(36)40/h1-25,40H,26H2
InChIKeyWGFRDSNGZRDNTP-UHFFFAOYSA-N
XLogP10.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.66
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

9-naphthalen-2-yl-3-[10-(4-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195475
9-[3-(9,10-dihydrophenanthren-9-yl)phenyl]-10-(4-prop-2-enylphenyl)anthracene
CID 143282951
(9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene
CID 144785467
9-[4-[2,3,4,5,6-pentakis(4-phenanthren-9-ylphenyl)phenyl]phenyl]phenanthrene
CID 23530038
N-[9,9-dimethyl-7-(9-phenyl-9,10-dihydrophenanthren-3-yl)fluoren-2-yl]-N-(4-phenylphenyl)phenanthren-3-amine
CID 137427337
4-(9-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-N,N-diphenylaniline
CID 146663017
9-naphthalen-2-yl-3-[10-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195500
9-[4-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenyl)phenyl]-3-triphenylen-2-ylcarbazole
CID 131969711
9-[3,5-di(phenanthren-9-yl)phenyl]phenanthrene
CID 11801830
9-(4-iodophenyl)phenanthrene
CID 89083753
3-phenyl-N-[4-[2-(9-phenyl-9,10-dihydrophenanthren-2-yl)phenyl]phenyl]-N-(3-phenylphenyl)aniline
CID 144907604
6-[3-(9,10-dihydrophenanthren-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,3-dimethylquinoxaline
CID 131965734

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene?
The IUPAC name of 9-[4-[4-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene (CID 142066915) is 9-[4-[4-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene.
What is the SMILES notation for 9-[4-[4-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene?
The canonical SMILES for 9-[4-[4-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene is c1ccc2c(c1)CC(c1ccc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc1)c1ccccc1-2.
What is the InChIKey of 9-[4-[4-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene?
The InChIKey is WGFRDSNGZRDNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H28/c1-3-11-33-31(9-1)25-39(37-15-7-5-13-35(33)37)29-21-17-27(18-22-29)28-19-23-30(24-20-28)40-26-32-10-2-4-12-34(32)36-14-6-8-16-38(36)40/h1-25,40H,26H2.
What are the key properties of 9-[4-[4-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene?
9-[4-[4-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene has a molecular weight of 508.66 g/mol, XLogP of 10.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene is sourced from PubChem (CID 142066915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).