1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(prop-1-en-2-yl)-9H-fluorene

C27H28 — CID 18942566

IUPAC1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(prop-1-en-2-yl)-9H-fluorene
SMILESC=C(C)c1ccc2c(c1)Cc1c-2ccc(C(=C)C)c1C(C)(C)C1=CC=CC1
InChIInChI=1S/C27H28/c1-17(2)19-11-12-23-20(15-19)16-25-24(23)14-13-22(18(3)4)26(25)27(5,6)21-9-7-8-10-21/h7-9,11-15H,1,3,10,16H2,2,4-6H3
InChIKeyIDZYDNBCOWTXST-UHFFFAOYSA-N
MW352.52 g/mol
LogP7.49
Rot. Bonds4

About 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(prop-1-en-2-yl)-9H-fluorene

1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(prop-1-en-2-yl)-9H-fluorene (PubChem CID 18942566) has the molecular formula C27H28 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(prop-1-en-2-yl)-9H-fluorene.

Molecular Properties

Compound Name1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(prop-1-en-2-yl)-9H-fluorene
PubChem CID18942566
Molecular FormulaC27H28
Molecular Weight352.52 g/mol
Exact Mass352.22
IUPAC Name1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(prop-1-en-2-yl)-9H-fluorene
SMILESC=C(C)c1ccc2c(c1)Cc1c-2ccc(C(=C)C)c1C(C)(C)C1=CC=CC1
InChIInChI=1S/C27H28/c1-17(2)19-11-12-23-20(15-19)16-25-24(23)14-13-22(18(3)4)26(25)27(5,6)21-9-7-8-10-21/h7-9,11-15H,1,3,10,16H2,2,4-6H3
InChIKeyIDZYDNBCOWTXST-UHFFFAOYSA-N
XLogP7.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(prop-1-en-2-yl)-9H-fluorene?
The IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(prop-1-en-2-yl)-9H-fluorene (CID 18942566) is 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(prop-1-en-2-yl)-9H-fluorene.
What is the SMILES notation for 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(prop-1-en-2-yl)-9H-fluorene?
The canonical SMILES for 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(prop-1-en-2-yl)-9H-fluorene is C=C(C)c1ccc2c(c1)Cc1c-2ccc(C(=C)C)c1C(C)(C)C1=CC=CC1.
What is the InChIKey of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(prop-1-en-2-yl)-9H-fluorene?
The InChIKey is IDZYDNBCOWTXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28/c1-17(2)19-11-12-23-20(15-19)16-25-24(23)14-13-22(18(3)4)26(25)27(5,6)21-9-7-8-10-21/h7-9,11-15H,1,3,10,16H2,2,4-6H3.
What are the key properties of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(prop-1-en-2-yl)-9H-fluorene?
1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)-2,7-bis(prop-1-en-2-yl)-9H-fluorene has a molecular weight of 352.52 g/mol, XLogP of 7.49, 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(prop-1-en-2-yl)-9H-fluorene is sourced from PubChem (CID 18942566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).