8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene

C29H26 — CID 143904645

IUPAC8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCc1ccc(-c2ccc3c(c2)-c2ccccc2CC(c2ccccc2)C3C)cc1
InChIInChI=1S/C29H26/c1-20-12-14-22(15-13-20)24-16-17-26-21(2)28(23-8-4-3-5-9-23)19-25-10-6-7-11-27(25)29(26)18-24/h3-18,21,28H,19H2,1-2H3
InChIKeyBWNVETRCARWQMG-UHFFFAOYSA-N
MW374.53 g/mol
LogP7.77
Rot. Bonds2

About 8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene

8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (PubChem CID 143904645) has the molecular formula C29H26 and a molecular weight of 374.53 g/mol. Its IUPAC name is 8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.

Molecular Properties

Compound Name8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
PubChem CID143904645
Molecular FormulaC29H26
Molecular Weight374.53 g/mol
Exact Mass374.20
IUPAC Name8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene
SMILESCc1ccc(-c2ccc3c(c2)-c2ccccc2CC(c2ccccc2)C3C)cc1
InChIInChI=1S/C29H26/c1-20-12-14-22(15-13-20)24-16-17-26-21(2)28(23-8-4-3-5-9-23)19-25-10-6-7-11-27(25)29(26)18-24/h3-18,21,28H,19H2,1-2H3
InChIKeyBWNVETRCARWQMG-UHFFFAOYSA-N
XLogP7.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-9-[3-(4-phenylphenyl)phenyl]carbazole
CID 170078460
3-(10-methyl-9-phenyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl)-9-(3-phenylphenyl)carbazole
CID 169131711
2-(16-methyl-15-phenyl-5-hexacyclo[21.8.0.02,7.08,13.017,22.025,30]hentriaconta-1(31),2(7),3,5,8,10,12,17,19,21,23,25,27,29-tetradecaenyl)-4,6-diphenyl-1,6-dihydropyrimidine
CID 137297184
(1S,2S)-1,6-dimethyl-2-phenyl-1,2,3,4-tetrahydronaphthalene
CID 170728886
3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479897
9-(9,9-dimethylfluoren-3-yl)-6-[8-methyl-9-(3-phenylphenyl)-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-1,2,4b,8a-tetrahydrocarbazole
CID 146658648
ethane;3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479896
3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-2-[4-[9-(2,6-diphenyl-4-pyridinyl)-8-methyl-4-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl]-2-bicyclo[4.1.0]hepta-1(6),2,4-trienyl]phenol
CID 123808115
2-(4-methylphenyl)-4-phenyl-3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene
CID 168830969
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
9-naphthalen-2-yl-3-[10-(3-phenylphenyl)-9,10-dihydrophenanthren-3-yl]carbazole
CID 170195500
(9S)-3-(4-chlorophenyl)-9-phenyl-9,10-dihydrophenanthrene
CID 144785467

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The IUPAC name of 8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene (CID 143904645) is 8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene.
What is the SMILES notation for 8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The canonical SMILES for 8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is Cc1ccc(-c2ccc3c(c2)-c2ccccc2CC(c2ccccc2)C3C)cc1.
What is the InChIKey of 8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
The InChIKey is BWNVETRCARWQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26/c1-20-12-14-22(15-13-20)24-16-17-26-21(2)28(23-8-4-3-5-9-23)19-25-10-6-7-11-27(25)29(26)18-24/h3-18,21,28H,19H2,1-2H3.
What are the key properties of 8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene?
8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene has a molecular weight of 374.53 g/mol, XLogP of 7.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-(4-methylphenyl)-9-phenyltricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene is sourced from PubChem (CID 143904645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).