7-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-7H-benzo[c]fluorene

C29H22 — CID 57155586

IUPAC7-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-7H-benzo[c]fluorene
SMILESC1=CCC(C(c2ccccc2)C2c3ccccc3-c3c2ccc2ccccc32)=C1
InChIInChI=1S/C29H22/c1-2-11-21(12-3-1)27(22-13-4-5-14-22)29-25-17-9-8-16-24(25)28-23-15-7-6-10-20(23)18-19-26(28)29/h1-13,15-19,27,29H,14H2
InChIKeyLUEDNEWPQAXQSW-UHFFFAOYSA-N
MW370.50 g/mol
LogP7.62
Rot. Bonds3

About 7-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-7H-benzo[c]fluorene

7-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-7H-benzo[c]fluorene (PubChem CID 57155586) has the molecular formula C29H22 and a molecular weight of 370.50 g/mol. Its IUPAC name is 7-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-7H-benzo[c]fluorene.

Molecular Properties

Compound Name7-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-7H-benzo[c]fluorene
PubChem CID57155586
Molecular FormulaC29H22
Molecular Weight370.50 g/mol
Exact Mass370.17
IUPAC Name7-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-7H-benzo[c]fluorene
SMILESC1=CCC(C(c2ccccc2)C2c3ccccc3-c3c2ccc2ccccc32)=C1
InChIInChI=1S/C29H22/c1-2-11-21(12-3-1)27(22-13-4-5-14-22)29-25-17-9-8-16-24(25)28-23-15-7-6-10-20(23)18-19-26(28)29/h1-13,15-19,27,29H,14H2
InChIKeyLUEDNEWPQAXQSW-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-[cyclopenta-1,3-dien-1-yl(diphenyl)methyl]-7H-benzo[c]fluorene;zirconium(2+);dichloride
CID 19384790
1,2-di(cyclopenta-1,3-dien-1-yl)naphthalene
CID 19892519
12-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;zirconium(2+);dichloride
CID 173283866
5-naphthalen-1-yl-9H-benzo[7]annulene
CID 142998872
7H-benzo[c]fluorene-7-carbaldehyde
CID 175577015
1-[cyclopenta-1,3-dien-1-yl-(2-phenylphenyl)methyl]-3-methyl-1H-indene
CID 141168944
9-(5-cyclopenta-1,3-dien-1-ylhex-1-enyl)-9H-fluorene
CID 90908374
(3R)-3-cyclopenta-1,3-dien-1-yl-3-phenylpropanal
CID 101420954
1-(1H-inden-4-yl)-2-methylnaphthalene
CID 57037744
bis(2-methylpropyl)-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane
CID 67216775
12-tert-butyl-12-propan-2-ylpentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 154685370
1-propan-2-ylphenanthrene
CID 12628671

Frequently Asked Questions

What is the IUPAC name of 7-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-7H-benzo[c]fluorene?
The IUPAC name of 7-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-7H-benzo[c]fluorene (CID 57155586) is 7-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-7H-benzo[c]fluorene.
What is the SMILES notation for 7-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-7H-benzo[c]fluorene?
The canonical SMILES for 7-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-7H-benzo[c]fluorene is C1=CCC(C(c2ccccc2)C2c3ccccc3-c3c2ccc2ccccc32)=C1.
What is the InChIKey of 7-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-7H-benzo[c]fluorene?
The InChIKey is LUEDNEWPQAXQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22/c1-2-11-21(12-3-1)27(22-13-4-5-14-22)29-25-17-9-8-16-24(25)28-23-15-7-6-10-20(23)18-19-26(28)29/h1-13,15-19,27,29H,14H2.
What are the key properties of 7-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-7H-benzo[c]fluorene?
7-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-7H-benzo[c]fluorene has a molecular weight of 370.50 g/mol, XLogP of 7.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[cyclopenta-1,3-dien-1-yl(phenyl)methyl]-7H-benzo[c]fluorene is sourced from PubChem (CID 57155586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).