1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene

C38H38 — CID 87787624

IUPAC1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene
SMILESCCCCC1C=C(C(C)(C)C)C=C1c1c(-c2ccccc2)ccc2c1Cc1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/C38H38/c1-5-6-13-29-23-31(38(2,3)4)25-35(29)37-33(27-16-11-8-12-17-27)20-21-34-32-19-18-28(22-30(32)24-36(34)37)26-14-9-7-10-15-26/h7-12,14-23,25,29H,5-6,13,24H2,1-4H3
InChIKeyGULZROLQUUXQLJ-UHFFFAOYSA-N
MW494.72 g/mol
LogP10.77
Rot. Bonds6

About 1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene

1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene (PubChem CID 87787624) has the molecular formula C38H38 and a molecular weight of 494.72 g/mol. Its IUPAC name is 1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene.

Molecular Properties

Compound Name1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene
PubChem CID87787624
Molecular FormulaC38H38
Molecular Weight494.72 g/mol
Exact Mass494.30
IUPAC Name1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene
SMILESCCCCC1C=C(C(C)(C)C)C=C1c1c(-c2ccccc2)ccc2c1Cc1cc(-c3ccccc3)ccc1-2
InChIInChI=1S/C38H38/c1-5-6-13-29-23-31(38(2,3)4)25-35(29)37-33(27-16-11-8-12-17-27)20-21-34-32-19-18-28(22-30(32)24-36(34)37)26-14-9-7-10-15-26/h7-12,14-23,25,29H,5-6,13,24H2,1-4H3
InChIKeyGULZROLQUUXQLJ-UHFFFAOYSA-N
XLogP10.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.72
LogP ≤ 510.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene with MolForge

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Related Compounds

5-butyl-2-tert-butylcyclopenta-1,3-diene;2,7-diphenyl-1,9-dihydrofluoren-1-ide;methylbenzene;methylidenezirconium;dihydrochloride
CID 87215178
2-butyl-1-phenyl-9H-fluorene
CID 154085968
2,7-ditert-butyl-3-(3-tert-butyl-5-methylcyclopenta-1,3-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene;zirconium(2+);dichloride
CID 173134923
1,2-bis(4-octadecylphenyl)-9H-fluorene
CID 150394649
1,2-diphenyl-9H-fluorene;propanoic acid
CID 174827621
1-tert-butyl-2-phenyl-9H-fluorene
CID 172750922
2,7-ditert-butyl-3-(4-tert-butyl-2-methylcyclopenta-2,4-dien-1-yl)-1-[(4-tert-butylphenyl)methyl]-4-phenyl-9H-fluorene
CID 154433757
1,1'-biphenyl;4-[1-(4-hydroxyphenyl)-9H-fluoren-2-yl]phenol
CID 174876060
1,2-bis(4-ethylphenyl)-9H-fluorene
CID 151520467
2-tert-butyl-5-ethylcyclopenta-1,3-diene;chlorobenzene;2,7-diphenyl-1,9-dihydrofluoren-1-ide;methylidenezirconium;dihydrochloride
CID 87215394
2-tert-butyl-7-[4-[9,9-dimethyl-7-(3-phenylphenyl)fluoren-2-yl]phenyl]-9,9-dimethylfluorene
CID 58881044
1-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-2,7-diphenyl-9H-fluorene;zirconium
CID 173284032

Frequently Asked Questions

What is the IUPAC name of 1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene?
The IUPAC name of 1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene (CID 87787624) is 1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene.
What is the SMILES notation for 1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene?
The canonical SMILES for 1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene is CCCCC1C=C(C(C)(C)C)C=C1c1c(-c2ccccc2)ccc2c1Cc1cc(-c3ccccc3)ccc1-2.
What is the InChIKey of 1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene?
The InChIKey is GULZROLQUUXQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38/c1-5-6-13-29-23-31(38(2,3)4)25-35(29)37-33(27-16-11-8-12-17-27)20-21-34-32-19-18-28(22-30(32)24-36(34)37)26-14-9-7-10-15-26/h7-12,14-23,25,29H,5-6,13,24H2,1-4H3.
What are the key properties of 1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene?
1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene has a molecular weight of 494.72 g/mol, XLogP of 10.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-butyl-3-tert-butylcyclopenta-1,3-dien-1-yl)-2,7-diphenyl-9H-fluorene is sourced from PubChem (CID 87787624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).