2-(6-cyclopenta-1,3-dien-1-yl-1H-inden-2-yl)-9H-fluorene

C27H20 — CID 155571314

IUPAC2-(6-cyclopenta-1,3-dien-1-yl-1H-inden-2-yl)-9H-fluorene
SMILESC1=CCC(c2ccc3c(c2)CC(c2ccc4c(c2)Cc2ccccc2-4)=C3)=C1
InChIInChI=1S/C27H20/c1-2-6-18(5-1)19-9-10-20-14-24(17-23(20)13-19)21-11-12-27-25(15-21)16-22-7-3-4-8-26(22)27/h1-5,7-15H,6,16-17H2
InChIKeyPXHSSYYFIJHZSJ-UHFFFAOYSA-N
MW344.46 g/mol
LogP6.70
Rot. Bonds2

About 2-(6-cyclopenta-1,3-dien-1-yl-1H-inden-2-yl)-9H-fluorene

2-(6-cyclopenta-1,3-dien-1-yl-1H-inden-2-yl)-9H-fluorene (PubChem CID 155571314) has the molecular formula C27H20 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-(6-cyclopenta-1,3-dien-1-yl-1H-inden-2-yl)-9H-fluorene.

Molecular Properties

Compound Name2-(6-cyclopenta-1,3-dien-1-yl-1H-inden-2-yl)-9H-fluorene
PubChem CID155571314
Molecular FormulaC27H20
Molecular Weight344.46 g/mol
Exact Mass344.16
IUPAC Name2-(6-cyclopenta-1,3-dien-1-yl-1H-inden-2-yl)-9H-fluorene
SMILESC1=CCC(c2ccc3c(c2)CC(c2ccc4c(c2)Cc2ccccc2-4)=C3)=C1
InChIInChI=1S/C27H20/c1-2-6-18(5-1)19-9-10-20-14-24(17-23(20)13-19)21-11-12-27-25(15-21)16-22-7-3-4-8-26(22)27/h1-5,7-15H,6,16-17H2
InChIKeyPXHSSYYFIJHZSJ-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 56.70
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

2-cyclopenta-1,3-dien-1-yl-9,9'-spirobi[fluorene]
CID 158389745
2-cyclopenta-1,3-dien-1-ylanthracene;2-cyclopenta-1,3-dien-1-yl-1H-cyclopenta[b]naphthalene;bis(6-cyclopenta-1,3-dien-1-yl-1H-cyclopenta[b]naphthalene);6-cyclopenta-1,3-dien-1-yl-1,4-dihydrocyclopenta[a]indene;2-cyclopenta-1,3-dien-1-yl-3,9-dihydrocyclopenta[b]fluorene;2-cyclopenta-1,3-dien-1-yl-5,10-dihydroindeno[2,1-a]indene;3-cyclopenta-1,3-dien-1-yl-9H-fluorene;2-(1H-inden-2-yl)anthracene;5-phenyl-4,7-dihydro-3H-cyclopenta[a]pentalene;4-phenyltetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
CID 162115293
2-(1H-inden-5-yl)-9H-fluorene
CID 145186106
2-[3-(1H-inden-2-yl)phenyl]-1H-indene
CID 159714267
9-(3-bromophenyl)tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,8,11,13-heptaene
CID 145377281
2,5-bis(9H-fluoren-2-yl)thieno[3,2-b]thiophene
CID 59779545
9H-fluorene;9-methyltetracyclo[6.5.0.04,12.05,10]trideca-1(13),2,4(12),5(10),6,8-hexaene
CID 173160450
2-cyclopenta-1,3-dien-1-yl-9-propyl-9H-fluorene
CID 90787993
2-cyclopenta-1,3-dien-1-yl-1-propyl-9H-fluorene
CID 21254346
ethane;9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 91469252
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
9-(9H-fluoren-2-yl)-10-phenylanthracene
CID 59866453

Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopenta-1,3-dien-1-yl-1H-inden-2-yl)-9H-fluorene?
The IUPAC name of 2-(6-cyclopenta-1,3-dien-1-yl-1H-inden-2-yl)-9H-fluorene (CID 155571314) is 2-(6-cyclopenta-1,3-dien-1-yl-1H-inden-2-yl)-9H-fluorene.
What is the SMILES notation for 2-(6-cyclopenta-1,3-dien-1-yl-1H-inden-2-yl)-9H-fluorene?
The canonical SMILES for 2-(6-cyclopenta-1,3-dien-1-yl-1H-inden-2-yl)-9H-fluorene is C1=CCC(c2ccc3c(c2)CC(c2ccc4c(c2)Cc2ccccc2-4)=C3)=C1.
What is the InChIKey of 2-(6-cyclopenta-1,3-dien-1-yl-1H-inden-2-yl)-9H-fluorene?
The InChIKey is PXHSSYYFIJHZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20/c1-2-6-18(5-1)19-9-10-20-14-24(17-23(20)13-19)21-11-12-27-25(15-21)16-22-7-3-4-8-26(22)27/h1-5,7-15H,6,16-17H2.
What are the key properties of 2-(6-cyclopenta-1,3-dien-1-yl-1H-inden-2-yl)-9H-fluorene?
2-(6-cyclopenta-1,3-dien-1-yl-1H-inden-2-yl)-9H-fluorene has a molecular weight of 344.46 g/mol, XLogP of 6.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopenta-1,3-dien-1-yl-1H-inden-2-yl)-9H-fluorene is sourced from PubChem (CID 155571314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).