7,9-diphenyl-9cH-cyclopenta[a]acenaphthylene

C27H18 — CID 14023518

IUPAC7,9-diphenyl-9cH-cyclopenta[a]acenaphthylene
SMILESC1=CC2=CC=CC3=C4C(c5ccccc5)=CC(c5ccccc5)=C4C(=C1)C23
InChIInChI=1S/C27H18/c1-3-9-18(10-4-1)23-17-24(19-11-5-2-6-12-19)27-22-16-8-14-20-13-7-15-21(25(20)22)26(23)27/h1-17,25H
InChIKeyHXARJECOUCLIMU-UHFFFAOYSA-N
MW342.44 g/mol
LogP6.46
Rot. Bonds2

About 7,9-diphenyl-9cH-cyclopenta[a]acenaphthylene

7,9-diphenyl-9cH-cyclopenta[a]acenaphthylene (PubChem CID 14023518) has the molecular formula C27H18 and a molecular weight of 342.44 g/mol. Its IUPAC name is 7,9-diphenyl-9cH-cyclopenta[a]acenaphthylene.

Molecular Properties

Compound Name7,9-diphenyl-9cH-cyclopenta[a]acenaphthylene
PubChem CID14023518
Molecular FormulaC27H18
Molecular Weight342.44 g/mol
Exact Mass342.14
IUPAC Name7,9-diphenyl-9cH-cyclopenta[a]acenaphthylene
SMILESC1=CC2=CC=CC3=C4C(c5ccccc5)=CC(c5ccccc5)=C4C(=C1)C23
InChIInChI=1S/C27H18/c1-3-9-18(10-4-1)23-17-24(19-11-5-2-6-12-19)27-22-16-8-14-20-13-7-15-21(25(20)22)26(23)27/h1-17,25H
InChIKeyHXARJECOUCLIMU-UHFFFAOYSA-N
XLogP6.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-phenyl-9bH-phenalene
CID 58645169
N-[4-[4-[N-(9bH-phenalen-2-yl)anilino]phenyl]phenyl]-N-phenyl-9bH-phenalen-2-amine
CID 122448830
3,7,21,25-tetraphenylundecacyclo[28.6.2.29,12.02,26.04,24.06,22.08,20.010,19.011,16.027,37.034,38]tetraconta-1(37),2,4,6(22),7,9,12,14,16,18,20,23,25,27,29,31,33,35,39-nonadecaene
CID 122235051
(3E)-1-phenyl-3-(3-phenylinden-1-ylidene)indene
CID 11315014
2,3,4-triphenylcyclopenta-2,4-dien-1-one
CID 12722873
cyclobutadienylbenzene
CID 86042442
phenoxybenzene;2,3,5-triphenylcyclopenta-2,4-dien-1-one
CID 174428112
7,15-diphenyl-11-oxapentacyclo[10.7.1.12,6.016,20.010,21]henicosa-1(19),2,4,6,8,10(21),13,15,17-nonaene
CID 122629709
3-(4-pyridin-3-ylphenyl)-4,5,10a,12b-tetrahydropyreno[1,2-b]pyridine
CID 89304024
[4-[10-[4-[dimethyl-(6-phenyl-4,10c-dihydropyren-1-yl)silyl]phenyl]anthracen-9-yl]phenyl]-dimethyl-(6-phenyl-4,10c-dihydropyren-1-yl)silane
CID 123803686
1-N,9-N-dimethyl-1-N,9-N-diphenyl-9bH-phenalene-1,9-diamine
CID 162283619
6,7-bis(dichloromethyl)-8,12-diphenylbenzo[a]heptalene
CID 101012760

Frequently Asked Questions

What is the IUPAC name of 7,9-diphenyl-9cH-cyclopenta[a]acenaphthylene?
The IUPAC name of 7,9-diphenyl-9cH-cyclopenta[a]acenaphthylene (CID 14023518) is 7,9-diphenyl-9cH-cyclopenta[a]acenaphthylene.
What is the SMILES notation for 7,9-diphenyl-9cH-cyclopenta[a]acenaphthylene?
The canonical SMILES for 7,9-diphenyl-9cH-cyclopenta[a]acenaphthylene is C1=CC2=CC=CC3=C4C(c5ccccc5)=CC(c5ccccc5)=C4C(=C1)C23.
What is the InChIKey of 7,9-diphenyl-9cH-cyclopenta[a]acenaphthylene?
The InChIKey is HXARJECOUCLIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18/c1-3-9-18(10-4-1)23-17-24(19-11-5-2-6-12-19)27-22-16-8-14-20-13-7-15-21(25(20)22)26(23)27/h1-17,25H.
What are the key properties of 7,9-diphenyl-9cH-cyclopenta[a]acenaphthylene?
7,9-diphenyl-9cH-cyclopenta[a]acenaphthylene has a molecular weight of 342.44 g/mol, XLogP of 6.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-diphenyl-9cH-cyclopenta[a]acenaphthylene is sourced from PubChem (CID 14023518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).