1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-3-cyclopenta-2,4-dien-1-yl-2-(1H-inden-1-yl)-9H-fluorene

C36H30 — CID 141088468

IUPAC1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-3-cyclopenta-2,4-dien-1-yl-2-(1H-inden-1-yl)-9H-fluorene
SMILESC1=CCC2CCC(c3c4c(cc(C5C=CC=C5)c3C3C=Cc5ccccc53)-c3ccccc3C4)C2=C1
InChIInChI=1S/C36H30/c1-2-10-23(9-1)32-22-33-29-16-8-5-13-26(29)21-34(33)36(31-20-18-25-12-4-7-15-28(25)31)35(32)30-19-17-24-11-3-6-14-27(24)30/h1-11,13-17,19,22-23,25,30-31H,12,18,20-21H2
InChIKeyUSMBGWZTBIPGDS-UHFFFAOYSA-N
MW462.64 g/mol
LogP9.01
Rot. Bonds3

About 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-3-cyclopenta-2,4-dien-1-yl-2-(1H-inden-1-yl)-9H-fluorene

1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-3-cyclopenta-2,4-dien-1-yl-2-(1H-inden-1-yl)-9H-fluorene (PubChem CID 141088468) has the molecular formula C36H30 and a molecular weight of 462.64 g/mol. Its IUPAC name is 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-3-cyclopenta-2,4-dien-1-yl-2-(1H-inden-1-yl)-9H-fluorene.

Molecular Properties

Compound Name1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-3-cyclopenta-2,4-dien-1-yl-2-(1H-inden-1-yl)-9H-fluorene
PubChem CID141088468
Molecular FormulaC36H30
Molecular Weight462.64 g/mol
Exact Mass462.23
IUPAC Name1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-3-cyclopenta-2,4-dien-1-yl-2-(1H-inden-1-yl)-9H-fluorene
SMILESC1=CCC2CCC(c3c4c(cc(C5C=CC=C5)c3C3C=Cc5ccccc53)-c3ccccc3C4)C2=C1
InChIInChI=1S/C36H30/c1-2-10-23(9-1)32-22-33-29-16-8-5-13-26(29)21-34(33)36(31-20-18-25-12-4-7-15-28(25)31)35(32)30-19-17-24-11-3-6-14-27(24)30/h1-11,13-17,19,22-23,25,30-31H,12,18,20-21H2
InChIKeyUSMBGWZTBIPGDS-UHFFFAOYSA-N
XLogP9.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-3-cyclopenta-2,4-dien-1-yl-2-(1H-inden-1-yl)-9H-fluorene with MolForge

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Related Compounds

1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-1H-indene
CID 141083969
1-cyclopenta-2,4-dien-1-yl-9H-fluorene;iron(3+);trihexafluorophosphate
CID 175851638
1-[2-bromo-6-(1H-inden-1-yl)phenyl]-9H-fluorene
CID 175730921
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
CID 141431215
1-[3-(1H-inden-1-yl)phenyl]-1H-indene
CID 15872860
2-cyclopenta-2,4-dien-1-yl-1-(2,2-diphenylpropyl)-9H-fluorene
CID 141027478
1-[2-(1H-inden-1-yl)propan-2-yl]-9H-fluorene
CID 22259766
1-(7aH-inden-1-yl)-1H-indene
CID 173019299
4-(9H-fluoren-1-yl)cyclohexan-1-amine
CID 150000864
11a,12-dihydroindeno[1,2-c]fluorene;6,12-dihydroindeno[1,2-b]fluorene;10,12-dihydroindeno[2,1-b]fluorene;methane
CID 159210224
1-(9H-fluoren-9-yl)-2,3-diphenyl-9H-fluorene
CID 150323539
1-(3,5-ditert-butylphenyl)-1H-indene
CID 22613659

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-3-cyclopenta-2,4-dien-1-yl-2-(1H-inden-1-yl)-9H-fluorene?
The IUPAC name of 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-3-cyclopenta-2,4-dien-1-yl-2-(1H-inden-1-yl)-9H-fluorene (CID 141088468) is 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-3-cyclopenta-2,4-dien-1-yl-2-(1H-inden-1-yl)-9H-fluorene.
What is the SMILES notation for 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-3-cyclopenta-2,4-dien-1-yl-2-(1H-inden-1-yl)-9H-fluorene?
The canonical SMILES for 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-3-cyclopenta-2,4-dien-1-yl-2-(1H-inden-1-yl)-9H-fluorene is C1=CCC2CCC(c3c4c(cc(C5C=CC=C5)c3C3C=Cc5ccccc53)-c3ccccc3C4)C2=C1.
What is the InChIKey of 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-3-cyclopenta-2,4-dien-1-yl-2-(1H-inden-1-yl)-9H-fluorene?
The InChIKey is USMBGWZTBIPGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H30/c1-2-10-23(9-1)32-22-33-29-16-8-5-13-26(29)21-34(33)36(31-20-18-25-12-4-7-15-28(25)31)35(32)30-19-17-24-11-3-6-14-27(24)30/h1-11,13-17,19,22-23,25,30-31H,12,18,20-21H2.
What are the key properties of 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-3-cyclopenta-2,4-dien-1-yl-2-(1H-inden-1-yl)-9H-fluorene?
1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-3-cyclopenta-2,4-dien-1-yl-2-(1H-inden-1-yl)-9H-fluorene has a molecular weight of 462.64 g/mol, XLogP of 9.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3a,4-tetrahydro-1H-inden-1-yl)-3-cyclopenta-2,4-dien-1-yl-2-(1H-inden-1-yl)-9H-fluorene is sourced from PubChem (CID 141088468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).