9-[3-(9,10-dihydrophenanthren-9-yl)phenyl]-10-(4-prop-2-enylphenyl)anthracene

C43H32 — CID 143282951

IUPAC9-[3-(9,10-dihydrophenanthren-9-yl)phenyl]-10-(4-prop-2-enylphenyl)anthracene
SMILESC=CCc1ccc(-c2c3ccccc3c(-c3cccc(C4Cc5ccccc5-c5ccccc54)c3)c3ccccc23)cc1
InChIInChI=1S/C43H32/c1-2-12-29-23-25-30(26-24-29)42-37-19-7-9-21-39(37)43(40-22-10-8-20-38(40)42)33-15-11-14-31(27-33)41-28-32-13-3-4-16-34(32)35-17-5-6-18-36(35)41/h2-11,13-27,41H,1,12,28H2
InChIKeyZEZJYCUIBHFSET-UHFFFAOYSA-N
MW548.73 g/mol
LogP11.41
Rot. Bonds5

About 9-[3-(9,10-dihydrophenanthren-9-yl)phenyl]-10-(4-prop-2-enylphenyl)anthracene

9-[3-(9,10-dihydrophenanthren-9-yl)phenyl]-10-(4-prop-2-enylphenyl)anthracene (PubChem CID 143282951) has the molecular formula C43H32 and a molecular weight of 548.73 g/mol. Its IUPAC name is 9-[3-(9,10-dihydrophenanthren-9-yl)phenyl]-10-(4-prop-2-enylphenyl)anthracene.

Molecular Properties

Compound Name9-[3-(9,10-dihydrophenanthren-9-yl)phenyl]-10-(4-prop-2-enylphenyl)anthracene
PubChem CID143282951
Molecular FormulaC43H32
Molecular Weight548.73 g/mol
Exact Mass548.25
IUPAC Name9-[3-(9,10-dihydrophenanthren-9-yl)phenyl]-10-(4-prop-2-enylphenyl)anthracene
SMILESC=CCc1ccc(-c2c3ccccc3c(-c3cccc(C4Cc5ccccc5-c5ccccc54)c3)c3ccccc23)cc1
InChIInChI=1S/C43H32/c1-2-12-29-23-25-30(26-24-29)42-37-19-7-9-21-39(37)43(40-22-10-8-20-38(40)42)33-15-11-14-31(27-33)41-28-32-13-3-4-16-34(32)35-17-5-6-18-36(35)41/h2-11,13-27,41H,1,12,28H2
InChIKeyZEZJYCUIBHFSET-UHFFFAOYSA-N
XLogP11.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.73
LogP ≤ 511.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-[4-[4-(9,10-dihydrophenanthren-9-yl)phenyl]phenyl]phenanthrene
CID 142066915
3-bromo-9-(3-phenylphenyl)-9,10-dihydrophenanthrene
CID 126561097
(9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene
CID 144785467
7-[10-(3,5-diphenylphenyl)anthracen-9-yl]-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene
CID 142424780
9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 59866453
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
9-naphthalen-2-yl-3-[10-(4-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195475
N-[9,9-dimethyl-7-(9-phenyl-9,10-dihydrophenanthren-3-yl)fluoren-2-yl]-N-(4-phenylphenyl)phenanthren-3-amine
CID 137427337
9-(4-naphthalen-1-ylphenyl)-10-[3-(4-naphthalen-1-ylphenyl)phenyl]anthracene
CID 58426694
9-(2,3,4,5,6-pentadeuteriophenyl)-10-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]anthracene
CID 170654177
ethane;9-(10-methyl-6-naphthalen-1-yl-9,10-dihydrophenanthren-3-yl)-10-phenylanthracene
CID 142424729

Frequently Asked Questions

What is the IUPAC name of 9-[3-(9,10-dihydrophenanthren-9-yl)phenyl]-10-(4-prop-2-enylphenyl)anthracene?
The IUPAC name of 9-[3-(9,10-dihydrophenanthren-9-yl)phenyl]-10-(4-prop-2-enylphenyl)anthracene (CID 143282951) is 9-[3-(9,10-dihydrophenanthren-9-yl)phenyl]-10-(4-prop-2-enylphenyl)anthracene.
What is the SMILES notation for 9-[3-(9,10-dihydrophenanthren-9-yl)phenyl]-10-(4-prop-2-enylphenyl)anthracene?
The canonical SMILES for 9-[3-(9,10-dihydrophenanthren-9-yl)phenyl]-10-(4-prop-2-enylphenyl)anthracene is C=CCc1ccc(-c2c3ccccc3c(-c3cccc(C4Cc5ccccc5-c5ccccc54)c3)c3ccccc23)cc1.
What is the InChIKey of 9-[3-(9,10-dihydrophenanthren-9-yl)phenyl]-10-(4-prop-2-enylphenyl)anthracene?
The InChIKey is ZEZJYCUIBHFSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H32/c1-2-12-29-23-25-30(26-24-29)42-37-19-7-9-21-39(37)43(40-22-10-8-20-38(40)42)33-15-11-14-31(27-33)41-28-32-13-3-4-16-34(32)35-17-5-6-18-36(35)41/h2-11,13-27,41H,1,12,28H2.
What are the key properties of 9-[3-(9,10-dihydrophenanthren-9-yl)phenyl]-10-(4-prop-2-enylphenyl)anthracene?
9-[3-(9,10-dihydrophenanthren-9-yl)phenyl]-10-(4-prop-2-enylphenyl)anthracene has a molecular weight of 548.73 g/mol, XLogP of 11.41, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(9,10-dihydrophenanthren-9-yl)phenyl]-10-(4-prop-2-enylphenyl)anthracene is sourced from PubChem (CID 143282951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).