7-methyl-6-(2-methylphenyl)-9-phenyl-2,3-dihydrocarbazole

C26H23N — CID 145017239

IUPAC7-methyl-6-(2-methylphenyl)-9-phenyl-2,3-dihydrocarbazole
SMILESCc1ccccc1-c1cc2c3c(n(-c4ccccc4)c2cc1C)=CCCC=3
InChIInChI=1S/C26H23N/c1-18-10-6-7-13-21(18)23-17-24-22-14-8-9-15-25(22)27(26(24)16-19(23)2)20-11-4-3-5-12-20/h3-7,10-17H,8-9H2,1-2H3
InChIKeyVSKDNNUDJUEVBP-UHFFFAOYSA-N
MW349.48 g/mol
LogP5.27
Rot. Bonds2

About 7-methyl-6-(2-methylphenyl)-9-phenyl-2,3-dihydrocarbazole

7-methyl-6-(2-methylphenyl)-9-phenyl-2,3-dihydrocarbazole (PubChem CID 145017239) has the molecular formula C26H23N and a molecular weight of 349.48 g/mol. Its IUPAC name is 7-methyl-6-(2-methylphenyl)-9-phenyl-2,3-dihydrocarbazole.

Molecular Properties

Compound Name7-methyl-6-(2-methylphenyl)-9-phenyl-2,3-dihydrocarbazole
PubChem CID145017239
Molecular FormulaC26H23N
Molecular Weight349.48 g/mol
Exact Mass349.18
IUPAC Name7-methyl-6-(2-methylphenyl)-9-phenyl-2,3-dihydrocarbazole
SMILESCc1ccccc1-c1cc2c3c(n(-c4ccccc4)c2cc1C)=CCCC=3
InChIInChI=1S/C26H23N/c1-18-10-6-7-13-21(18)23-17-24-22-14-8-9-15-25(22)27(26(24)16-19(23)2)20-11-4-3-5-12-20/h3-7,10-17H,8-9H2,1-2H3
InChIKeyVSKDNNUDJUEVBP-UHFFFAOYSA-N
XLogP5.27
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(2-methylphenyl)-9-phenyl-2,3-dihydrocarbazole?
The IUPAC name of 7-methyl-6-(2-methylphenyl)-9-phenyl-2,3-dihydrocarbazole (CID 145017239) is 7-methyl-6-(2-methylphenyl)-9-phenyl-2,3-dihydrocarbazole.
What is the SMILES notation for 7-methyl-6-(2-methylphenyl)-9-phenyl-2,3-dihydrocarbazole?
The canonical SMILES for 7-methyl-6-(2-methylphenyl)-9-phenyl-2,3-dihydrocarbazole is Cc1ccccc1-c1cc2c3c(n(-c4ccccc4)c2cc1C)=CCCC=3.
What is the InChIKey of 7-methyl-6-(2-methylphenyl)-9-phenyl-2,3-dihydrocarbazole?
The InChIKey is VSKDNNUDJUEVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N/c1-18-10-6-7-13-21(18)23-17-24-22-14-8-9-15-25(22)27(26(24)16-19(23)2)20-11-4-3-5-12-20/h3-7,10-17H,8-9H2,1-2H3.
What are the key properties of 7-methyl-6-(2-methylphenyl)-9-phenyl-2,3-dihydrocarbazole?
7-methyl-6-(2-methylphenyl)-9-phenyl-2,3-dihydrocarbazole has a molecular weight of 349.48 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(2-methylphenyl)-9-phenyl-2,3-dihydrocarbazole is sourced from PubChem (CID 145017239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).