1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene

C39H40 — CID 173283840

IUPAC1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene
SMILESCc1cc(C)c(-c2ccc3c(c2)Cc2c-3ccc(-c3c(C)cc(C)cc3C)c2C(C)(C)C2=CC=CC2)c(C)c1
InChIInChI=1S/C39H40/c1-23-17-25(3)36(26(4)18-23)29-13-14-32-30(21-29)22-35-33(32)15-16-34(37-27(5)19-24(2)20-28(37)6)38(35)39(7,8)31-11-9-10-12-31/h9-11,13-21H,12,22H2,1-8H3
InChIKeyBGADQWWVFKNALI-UHFFFAOYSA-N
MW508.75 g/mol
LogP10.61
Rot. Bonds4

About 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene

1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene (PubChem CID 173283840) has the molecular formula C39H40 and a molecular weight of 508.75 g/mol. Its IUPAC name is 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene.

Molecular Properties

Compound Name1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene
PubChem CID173283840
Molecular FormulaC39H40
Molecular Weight508.75 g/mol
Exact Mass508.31
IUPAC Name1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene
SMILESCc1cc(C)c(-c2ccc3c(c2)Cc2c-3ccc(-c3c(C)cc(C)cc3C)c2C(C)(C)C2=CC=CC2)c(C)c1
InChIInChI=1S/C39H40/c1-23-17-25(3)36(26(4)18-23)29-13-14-32-30(21-29)22-35-33(32)15-16-34(37-27(5)19-24(2)20-28(37)6)38(35)39(7,8)31-11-9-10-12-31/h9-11,13-21H,12,22H2,1-8H3
InChIKeyBGADQWWVFKNALI-UHFFFAOYSA-N
XLogP10.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.75
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene with MolForge

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Related Compounds

1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(prop-1-en-2-yl)-9H-fluorene
CID 18942566
2,7-ditert-butyl-1-[cyclopenta-1,3-dien-1-yl-bis(4-methylphenyl)methyl]-9H-fluorene
CID 86606714
1-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-2,7-diphenyl-9H-fluorene;zirconium
CID 173284032
3,6-bis(2,4,6-trimethylphenyl)-9H-fluorene;titanium
CID 174651733
2,7-dibromo-1-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-9H-fluorene;zirconium;dihydrochloride
CID 173345938
2,7-bis(2,4,6-trimethylphenyl)-1,9-dihydrofluoren-1-ide;cyclopenta-1,3-diene;1-phenylethylidenetitanium(2+);dichloride
CID 87146804
1-(cyclopenta-1,3-dien-1-ylmethyl)-2,7-dimethyl-9H-fluorene
CID 19935999
1,3,7-trimethyl-9H-fluorene
CID 59561098
2,7-ditert-butyl-1-(1-cyclopenta-1,3-dien-1-yl-1-phenylpent-2-enyl)-9H-fluorene;zirconium(2+);dichloride
CID 173043554
(2,7-ditert-butyl-1-cyclopenta-1,3-dien-1-yl-9H-fluoren-3-yl)-trimethylsilane
CID 87110240
18-(2,6-dimethylphenyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8,10,12,15(20),16,18-nonaene
CID 58725546
CID 166443587
CID 166443587

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene?
The IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene (CID 173283840) is 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene.
What is the SMILES notation for 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene?
The canonical SMILES for 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene is Cc1cc(C)c(-c2ccc3c(c2)Cc2c-3ccc(-c3c(C)cc(C)cc3C)c2C(C)(C)C2=CC=CC2)c(C)c1.
What is the InChIKey of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene?
The InChIKey is BGADQWWVFKNALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40/c1-23-17-25(3)36(26(4)18-23)29-13-14-32-30(21-29)22-35-33(32)15-16-34(37-27(5)19-24(2)20-28(37)6)38(35)39(7,8)31-11-9-10-12-31/h9-11,13-21H,12,22H2,1-8H3.
What are the key properties of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene?
1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene has a molecular weight of 508.75 g/mol, XLogP of 10.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(2,4,6-trimethylphenyl)-9H-fluorene is sourced from PubChem (CID 173283840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).