1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene

C52H36 — CID 150549233

IUPAC1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene
SMILESC(=Cc1c2c(cc(-c3ccccc3)c1-c1ccccc1)-c1ccccc1C2)c1c2c(cc(-c3ccccc3)c1-c1ccccc1)-c1ccccc1C2
InChIInChI=1S/C52H36/c1-5-17-35(18-6-1)45-33-49-41-27-15-13-25-39(41)31-47(49)43(51(45)37-21-9-3-10-22-37)29-30-44-48-32-40-26-14-16-28-42(40)50(48)34-46(36-19-7-2-8-20-36)52(44)38-23-11-4-12-24-38/h1-30,33-34H,31-32H2
InChIKeyIHNHILNCJXWFGT-UHFFFAOYSA-N
MW660.86 g/mol
LogP13.67
Rot. Bonds6

About 1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene

1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene (PubChem CID 150549233) has the molecular formula C52H36 and a molecular weight of 660.86 g/mol. Its IUPAC name is 1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene.

Molecular Properties

Compound Name1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene
PubChem CID150549233
Molecular FormulaC52H36
Molecular Weight660.86 g/mol
Exact Mass660.28
IUPAC Name1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene
SMILESC(=Cc1c2c(cc(-c3ccccc3)c1-c1ccccc1)-c1ccccc1C2)c1c2c(cc(-c3ccccc3)c1-c1ccccc1)-c1ccccc1C2
InChIInChI=1S/C52H36/c1-5-17-35(18-6-1)45-33-49-41-27-15-13-25-39(41)31-47(49)43(51(45)37-21-9-3-10-22-37)29-30-44-48-32-40-26-14-16-28-42(40)50(48)34-46(36-19-7-2-8-20-36)52(44)38-23-11-4-12-24-38/h1-30,33-34H,31-32H2
InChIKeyIHNHILNCJXWFGT-UHFFFAOYSA-N
XLogP13.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.86
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(9H-fluoren-9-yl)-2,3-diphenyl-9H-fluorene
CID 150323539
2,3-diphenyl-1-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 151214779
2-[1,2-bis(3-phenyl-2-pyridinyl)-9H-fluoren-3-yl]-3-phenylpyridine
CID 151524668
1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
CID 150664526
3,4-diphenyl-5H-indeno[1,2-b]pyridine
CID 71411540
N-dibenzofuran-1-yl-N-(2,3-diphenyl-9H-fluoren-1-yl)dibenzofuran-1-amine
CID 166134830
3-naphthalen-1-yl-2-phenyl-9H-fluoren-1-amine
CID 175536333
1-[2-(4-phenylphenyl)phenyl]-9H-fluorene
CID 174460318
1,2-diphenyl-3-propyl-9H-fluorene
CID 174971839
2-fluoro-1-phenyl-9H-fluorene
CID 151671400
4-methylbenzenesulfonic acid;3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1,2-diphenyl-9H-fluorene
CID 172859889
1,1'-biphenyl;4-[1-(4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 174876060

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene?
The IUPAC name of 1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene (CID 150549233) is 1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene.
What is the SMILES notation for 1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene?
The canonical SMILES for 1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene is C(=Cc1c2c(cc(-c3ccccc3)c1-c1ccccc1)-c1ccccc1C2)c1c2c(cc(-c3ccccc3)c1-c1ccccc1)-c1ccccc1C2.
What is the InChIKey of 1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene?
The InChIKey is IHNHILNCJXWFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36/c1-5-17-35(18-6-1)45-33-49-41-27-15-13-25-39(41)31-47(49)43(51(45)37-21-9-3-10-22-37)29-30-44-48-32-40-26-14-16-28-42(40)50(48)34-46(36-19-7-2-8-20-36)52(44)38-23-11-4-12-24-38/h1-30,33-34H,31-32H2.
What are the key properties of 1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene?
1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene has a molecular weight of 660.86 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene is sourced from PubChem (CID 150549233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).