1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene

C31H26 — CID 175138481

IUPAC1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene
SMILESC=CCc1c(CC=C)c(-c2ccccc2)c(-c2ccccc2)c2c1-c1ccccc1C2
InChIInChI=1S/C31H26/c1-3-13-26-27(14-4-2)31-25-20-12-11-19-24(25)21-28(31)30(23-17-9-6-10-18-23)29(26)22-15-7-5-8-16-22/h3-12,15-20H,1-2,13-14,21H2
InChIKeyOXGVZRADCLZCOZ-UHFFFAOYSA-N
MW398.55 g/mol
LogP8.05
Rot. Bonds6

About 1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene

1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene (PubChem CID 175138481) has the molecular formula C31H26 and a molecular weight of 398.55 g/mol. Its IUPAC name is 1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene.

Molecular Properties

Compound Name1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene
PubChem CID175138481
Molecular FormulaC31H26
Molecular Weight398.55 g/mol
Exact Mass398.20
IUPAC Name1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene
SMILESC=CCc1c(CC=C)c(-c2ccccc2)c(-c2ccccc2)c2c1-c1ccccc1C2
InChIInChI=1S/C31H26/c1-3-13-26-27(14-4-2)31-25-20-12-11-19-24(25)21-28(31)30(23-17-9-6-10-18-23)29(26)22-15-7-5-8-16-22/h3-12,15-20H,1-2,13-14,21H2
InChIKeyOXGVZRADCLZCOZ-UHFFFAOYSA-N
XLogP8.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.55
LogP ≤ 58.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene
CID 150980192
1-prop-2-enyl-9H-fluoren-2-amine
CID 67882523
1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
CID 150664526
4-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,2,3-triphenyl-9H-fluorene
CID 150894186
1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid
CID 139570537
1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid
CID 158607547
2-[3-phenyl-2,4,6-tris(prop-2-enyl)phenyl]phenol
CID 121483228
3,4-diphenyl-5H-indeno[1,2-b]pyridine
CID 71411540
1,1'-biphenyl;9H-fluorene;hydrazine
CID 157286275
1,2-diphenyl-3-propyl-9H-fluorene
CID 174971839
1-(4-fluorophenyl)-3-phenyl-2,4-bis(prop-2-enyl)benzene
CID 173362842
1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene
CID 150549233

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene?
The IUPAC name of 1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene (CID 175138481) is 1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene.
What is the SMILES notation for 1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene?
The canonical SMILES for 1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene is C=CCc1c(CC=C)c(-c2ccccc2)c(-c2ccccc2)c2c1-c1ccccc1C2.
What is the InChIKey of 1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene?
The InChIKey is OXGVZRADCLZCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26/c1-3-13-26-27(14-4-2)31-25-20-12-11-19-24(25)21-28(31)30(23-17-9-6-10-18-23)29(26)22-15-7-5-8-16-22/h3-12,15-20H,1-2,13-14,21H2.
What are the key properties of 1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene?
1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene has a molecular weight of 398.55 g/mol, XLogP of 8.05, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-3,4-bis(prop-2-enyl)-9H-fluorene is sourced from PubChem (CID 175138481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).