3-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methyl-9-(4-methylphenyl)-1,2-dihydrocarbazole

C28H29N — CID 155483677

IUPAC3-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methyl-9-(4-methylphenyl)-1,2-dihydrocarbazole
SMILESCC1=CC(C)C(C2=Cc3c(n(-c4ccc(C)cc4)c4ccccc34)CC2C)C=C1
InChIInChI=1S/C28H29N/c1-18-9-12-22(13-10-18)29-27-8-6-5-7-24(27)26-17-25(21(4)16-28(26)29)23-14-11-19(2)15-20(23)3/h5-15,17,20-21,23H,16H2,1-4H3
InChIKeyGBSXVGHREOAZEF-UHFFFAOYSA-N
MW379.55 g/mol
LogP7.28
Rot. Bonds2

About 3-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methyl-9-(4-methylphenyl)-1,2-dihydrocarbazole

3-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methyl-9-(4-methylphenyl)-1,2-dihydrocarbazole (PubChem CID 155483677) has the molecular formula C28H29N and a molecular weight of 379.55 g/mol. Its IUPAC name is 3-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methyl-9-(4-methylphenyl)-1,2-dihydrocarbazole.

Molecular Properties

Compound Name3-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methyl-9-(4-methylphenyl)-1,2-dihydrocarbazole
PubChem CID155483677
Molecular FormulaC28H29N
Molecular Weight379.55 g/mol
Exact Mass379.23
IUPAC Name3-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methyl-9-(4-methylphenyl)-1,2-dihydrocarbazole
SMILESCC1=CC(C)C(C2=Cc3c(n(-c4ccc(C)cc4)c4ccccc34)CC2C)C=C1
InChIInChI=1S/C28H29N/c1-18-9-12-22(13-10-18)29-27-8-6-5-7-24(27)26-17-25(21(4)16-28(26)29)23-14-11-19(2)15-20(23)3/h5-15,17,20-21,23H,16H2,1-4H3
InChIKeyGBSXVGHREOAZEF-UHFFFAOYSA-N
XLogP7.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methyl-9-(4-methylphenyl)-1,2-dihydrocarbazole?
The IUPAC name of 3-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methyl-9-(4-methylphenyl)-1,2-dihydrocarbazole (CID 155483677) is 3-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methyl-9-(4-methylphenyl)-1,2-dihydrocarbazole.
What is the SMILES notation for 3-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methyl-9-(4-methylphenyl)-1,2-dihydrocarbazole?
The canonical SMILES for 3-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methyl-9-(4-methylphenyl)-1,2-dihydrocarbazole is CC1=CC(C)C(C2=Cc3c(n(-c4ccc(C)cc4)c4ccccc34)CC2C)C=C1.
What is the InChIKey of 3-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methyl-9-(4-methylphenyl)-1,2-dihydrocarbazole?
The InChIKey is GBSXVGHREOAZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N/c1-18-9-12-22(13-10-18)29-27-8-6-5-7-24(27)26-17-25(21(4)16-28(26)29)23-14-11-19(2)15-20(23)3/h5-15,17,20-21,23H,16H2,1-4H3.
What are the key properties of 3-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methyl-9-(4-methylphenyl)-1,2-dihydrocarbazole?
3-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methyl-9-(4-methylphenyl)-1,2-dihydrocarbazole has a molecular weight of 379.55 g/mol, XLogP of 7.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-2-methyl-9-(4-methylphenyl)-1,2-dihydrocarbazole is sourced from PubChem (CID 155483677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).