4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene

C25H20 — CID 91485242

IUPAC4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)CCC3)cc1
InChIInChI=1S/C25H20/c1-3-10-18(11-4-1)24-20-14-7-8-15-21(20)25(19-12-5-2-6-13-19)23-17-9-16-22(23)24/h1-8,10-15H,9,16-17H2
InChIKeyNMBPXFRXEXDFBR-UHFFFAOYSA-N
MW320.44 g/mol
LogP6.66
Rot. Bonds2

About 4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene

4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene (PubChem CID 91485242) has the molecular formula C25H20 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene
PubChem CID91485242
Molecular FormulaC25H20
Molecular Weight320.44 g/mol
Exact Mass320.16
IUPAC Name4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)CCC3)cc1
InChIInChI=1S/C25H20/c1-3-10-18(11-4-1)24-20-14-7-8-15-21(20)25(19-12-5-2-6-13-19)23-17-9-16-22(23)24/h1-8,10-15H,9,16-17H2
InChIKeyNMBPXFRXEXDFBR-UHFFFAOYSA-N
XLogP6.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,10-diphenyl-1,4-dihydroanthracene
CID 134158866
6,7-dimethoxy-9,10-diphenyl-1,2,3,4-tetrahydroanthracene
CID 177454119
4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline
CID 118178056
bis(8-phenyl-1,2,3,5-tetrahydro-s-indacen-5-ide);zirconium(2+)
CID 175031068
3,4,5,6,12,13,14,15-octakis-phenylheptacyclo[20.7.1.117,25.02,7.011,16.019,24.023,28]hentriaconta-1(29),2,4,6,11,13,15,17(31),18,20,22(30),23(28),24,26-tetradecaene
CID 132991349
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
9-(3-methyl-4-phenylnaphthalen-1-yl)-10-phenylanthracene
CID 140762183
1-ethyl-3,4-diphenyl-6,7-dihydro-5H-cyclopenta[c]pyridin-2-ium
CID 173306060
tetracyclo[6.6.5.02,7.09,14]nonadeca-1,3,5,7,9,11,13-heptaene
CID 14980237
tetracyclo[6.6.6.02,7.09,14]icosa-1,3,5,7,9,11,13-heptaene
CID 10015487
5-(10-phenyl-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 118178106

Frequently Asked Questions

What is the IUPAC name of 4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene?
The IUPAC name of 4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene (CID 91485242) is 4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene.
What is the SMILES notation for 4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene?
The canonical SMILES for 4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)CCC3)cc1.
What is the InChIKey of 4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene?
The InChIKey is NMBPXFRXEXDFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20/c1-3-10-18(11-4-1)24-20-14-7-8-15-21(20)25(19-12-5-2-6-13-19)23-17-9-16-22(23)24/h1-8,10-15H,9,16-17H2.
What are the key properties of 4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene?
4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene has a molecular weight of 320.44 g/mol, XLogP of 6.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene is sourced from PubChem (CID 91485242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).