9-[(3S,4R)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene

C42H28 — CID 16723223

IUPAC9-[(3S,4R)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene
SMILESc1ccc([C@H]2C(=C3c4ccccc4-c4ccccc43)C(=C3c4ccccc4-c4ccccc43)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C42H28/c1-3-15-27(16-4-1)37-38(28-17-5-2-6-18-28)42(40-35-25-13-9-21-31(35)32-22-10-14-26-36(32)40)41(37)39-33-23-11-7-19-29(33)30-20-8-12-24-34(30)39/h1-26,37-38H/t37-,38+
InChIKeyGRMYPGNKQMROJC-MAZIBIHTSA-N
MW532.69 g/mol
LogP10.53
Rot. Bonds2

About 9-[(3S,4R)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene

9-[(3S,4R)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene (PubChem CID 16723223) has the molecular formula C42H28 and a molecular weight of 532.69 g/mol. Its IUPAC name is 9-[(3S,4R)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene.

Molecular Properties

Compound Name9-[(3S,4R)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene
PubChem CID16723223
Molecular FormulaC42H28
Molecular Weight532.69 g/mol
Exact Mass532.22
IUPAC Name9-[(3S,4R)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene
SMILESc1ccc([C@H]2C(=C3c4ccccc4-c4ccccc43)C(=C3c4ccccc4-c4ccccc43)[C@H]2c2ccccc2)cc1
InChIInChI=1S/C42H28/c1-3-15-27(16-4-1)37-38(28-17-5-2-6-18-28)42(40-35-25-13-9-21-31(35)32-22-10-14-26-36(32)40)41(37)39-33-23-11-7-19-29(33)30-20-8-12-24-34(30)39/h1-26,37-38H/t37-,38+
InChIKeyGRMYPGNKQMROJC-MAZIBIHTSA-N
XLogP10.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.69
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9-[(3S,4S)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene
CID 91157268
9-[(2R,3R)-2,3-dibromo-4-fluoren-9-ylidenecyclobutylidene]fluorene
CID 132603146
[(1S,4S)-2,3-di(fluoren-9-ylidene)-4-trimethylsilylcyclobutyl]-trimethylsilane
CID 16723468
10-fluoren-9-ylidene-9,9-dimethylanthracene
CID 10832973
biphenylene;hydron
CID 173077542
9-phenyl-9H-fluorene
CID 13091
5-hydroxy-2,3-diphenyl-2,3-dihydronaphthalene-1,4-dione
CID 139635069
(4S)-5-methyl-2,3,4-triphenylcyclopent-2-en-1-one
CID 142808769
5-phenyl-10-[4-(5-phenylindeno[1,2-b]inden-10-yl)phenyl]indeno[2,1-a]indene
CID 177426395
diphenyliodanium;hydroiodide
CID 54604341
2,3,4,5-tetraphenyl-2,5-dihydro-1H-germole
CID 173146259
(6-bromocyclohexa-2,4-dien-1-yl)benzene
CID 126636127

Frequently Asked Questions

What is the IUPAC name of 9-[(3S,4R)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene?
The IUPAC name of 9-[(3S,4R)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene (CID 16723223) is 9-[(3S,4R)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene.
What is the SMILES notation for 9-[(3S,4R)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene?
The canonical SMILES for 9-[(3S,4R)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene is c1ccc([C@H]2C(=C3c4ccccc4-c4ccccc43)C(=C3c4ccccc4-c4ccccc43)[C@H]2c2ccccc2)cc1.
What is the InChIKey of 9-[(3S,4R)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene?
The InChIKey is GRMYPGNKQMROJC-MAZIBIHTSA-N. The full InChI is InChI=1S/C42H28/c1-3-15-27(16-4-1)37-38(28-17-5-2-6-18-28)42(40-35-25-13-9-21-31(35)32-22-10-14-26-36(32)40)41(37)39-33-23-11-7-19-29(33)30-20-8-12-24-34(30)39/h1-26,37-38H/t37-,38+.
What are the key properties of 9-[(3S,4R)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene?
9-[(3S,4R)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene has a molecular weight of 532.69 g/mol, XLogP of 10.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3S,4R)-2-fluoren-9-ylidene-3,4-diphenylcyclobutylidene]fluorene is sourced from PubChem (CID 16723223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).