3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene

C27H22 — CID 11834975

IUPAC3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)C2CCC3C2)cc1
InChIInChI=1S/C27H22/c1-3-9-18(10-4-1)24-22-13-7-8-14-23(22)25(19-11-5-2-6-12-19)27-21-16-15-20(17-21)26(24)27/h1-14,20-21H,15-17H2
InChIKeyNWMRZCSGFBTTPU-UHFFFAOYSA-N
MW346.47 g/mol
LogP7.54
Rot. Bonds2

About 3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene

3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene (PubChem CID 11834975) has the molecular formula C27H22 and a molecular weight of 346.47 g/mol. Its IUPAC name is 3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene.

Molecular Properties

Compound Name3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
PubChem CID11834975
Molecular FormulaC27H22
Molecular Weight346.47 g/mol
Exact Mass346.17
IUPAC Name3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene
SMILESc1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)C2CCC3C2)cc1
InChIInChI=1S/C27H22/c1-3-9-18(10-4-1)24-22-13-7-8-14-23(22)25(19-11-5-2-6-12-19)27-21-16-15-20(17-21)26(24)27/h1-14,20-21H,15-17H2
InChIKeyNWMRZCSGFBTTPU-UHFFFAOYSA-N
XLogP7.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-diphenylbicyclo[2.2.1]hept-2-ene
CID 14908753
1,2-dibromo-3,8-diphenyl-1,2-dihydrocyclobuta[b]naphthalene
CID 4131074
2-cyclopentyl-1,4-diphenylnaphthalene
CID 15981874
4-methyl-10-phenyl-3,4-dihydroanthracen-9-amine
CID 166956954
4-phenyltricyclo[6.2.1.02,7]undeca-2,4,6-triene-3,6-diol
CID 15267343
3-methyl-6-phenyl-4,5-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 90195113
methane;9-(4-phenylphenyl)-10-[10-(4-phenylphenyl)anthracen-9-yl]anthracene
CID 143224896
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
4,9-diphenyl-2,3-dihydro-1H-cyclopenta[b]naphthalene
CID 91485242
9H-carbazole;9,10-diphenylanthracene
CID 159841164
9,10-diphenyl-1,4-dihydroanthracene
CID 134158866
methyl (1R,8S)-5-oxo-6-phenyl-4-oxatricyclo[6.2.1.02,7]undeca-2,6-diene-3-carboxylate
CID 10613852

Frequently Asked Questions

What is the IUPAC name of 3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
The IUPAC name of 3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene (CID 11834975) is 3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene.
What is the SMILES notation for 3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
The canonical SMILES for 3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene is c1ccc(-c2c3c(c(-c4ccccc4)c4ccccc24)C2CCC3C2)cc1.
What is the InChIKey of 3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
The InChIKey is NWMRZCSGFBTTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22/c1-3-9-18(10-4-1)24-22-13-7-8-14-23(22)25(19-11-5-2-6-12-19)27-21-16-15-20(17-21)26(24)27/h1-14,20-21H,15-17H2.
What are the key properties of 3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene?
3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene has a molecular weight of 346.47 g/mol, XLogP of 7.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,10-diphenyltetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene is sourced from PubChem (CID 11834975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).