1-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-2-phenyl-10H-pyrrolo[3,2-a]carbazole

C28H24N2 — CID 145243302

IUPAC1-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-2-phenyl-10H-pyrrolo[3,2-a]carbazole
SMILESCC1C=CC(C2(C)C(c3ccccc3)=Nc3ccc4c([nH]c5ccccc54)c32)=CC1
InChIInChI=1S/C28H24N2/c1-18-12-14-20(15-13-18)28(2)25-24(30-27(28)19-8-4-3-5-9-19)17-16-22-21-10-6-7-11-23(21)29-26(22)25/h3-12,14-18,29H,13H2,1-2H3
InChIKeySYKJXVZIKQJCAN-UHFFFAOYSA-N
MW388.51 g/mol
LogP7.24
Rot. Bonds2

About 1-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-2-phenyl-10H-pyrrolo[3,2-a]carbazole

1-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-2-phenyl-10H-pyrrolo[3,2-a]carbazole (PubChem CID 145243302) has the molecular formula C28H24N2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-2-phenyl-10H-pyrrolo[3,2-a]carbazole.

Molecular Properties

Compound Name1-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-2-phenyl-10H-pyrrolo[3,2-a]carbazole
PubChem CID145243302
Molecular FormulaC28H24N2
Molecular Weight388.51 g/mol
Exact Mass388.19
IUPAC Name1-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-2-phenyl-10H-pyrrolo[3,2-a]carbazole
SMILESCC1C=CC(C2(C)C(c3ccccc3)=Nc3ccc4c([nH]c5ccccc54)c32)=CC1
InChIInChI=1S/C28H24N2/c1-18-12-14-20(15-13-18)28(2)25-24(30-27(28)19-8-4-3-5-9-19)17-16-22-21-10-6-7-11-23(21)29-26(22)25/h3-12,14-18,29H,13H2,1-2H3
InChIKeySYKJXVZIKQJCAN-UHFFFAOYSA-N
XLogP7.24
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylcyclohexa-1,5-dien-1-yl)-9H-carbazole
CID 167223460
ethane;1-methyl-1,2-diphenyl-9H-pyrrolo[3,2-b]carbazole
CID 145243253
3-methyl-12-phenyl-4,11-dihydro-3H-indolo[2,3-a]carbazole
CID 177035992
1,1-dimethyl-2-phenyl-9H-pyrrolo[3,2-b]carbazole;1-methyl-2-(2-methylphenyl)benzene;toluene
CID 145243305
1-(3,4-diphenylphenyl)-9H-carbazole
CID 141489388
1-(3-triphenylen-2-ylphenyl)-9H-carbazole
CID 129197617
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
CID 118448619
12-cyclohepta-1,3,6-trien-1-yl-12-methyl-11H-indeno[2,1-a]carbazole
CID 145377277
1,1,3-trimethyl-3,4-dihydro-2H-cyclopenta[b]indole
CID 135213343
2-phenyl-9H-carbazol-1-ol
CID 118682381
9H-carbazole;5,5-dimethyl-1-phenylcyclohexa-1,3-diene
CID 174544647
1-(1-methylcyclohexyl)-9H-carbazole
CID 173176825

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-2-phenyl-10H-pyrrolo[3,2-a]carbazole?
The IUPAC name of 1-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-2-phenyl-10H-pyrrolo[3,2-a]carbazole (CID 145243302) is 1-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-2-phenyl-10H-pyrrolo[3,2-a]carbazole.
What is the SMILES notation for 1-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-2-phenyl-10H-pyrrolo[3,2-a]carbazole?
The canonical SMILES for 1-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-2-phenyl-10H-pyrrolo[3,2-a]carbazole is CC1C=CC(C2(C)C(c3ccccc3)=Nc3ccc4c([nH]c5ccccc54)c32)=CC1.
What is the InChIKey of 1-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-2-phenyl-10H-pyrrolo[3,2-a]carbazole?
The InChIKey is SYKJXVZIKQJCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2/c1-18-12-14-20(15-13-18)28(2)25-24(30-27(28)19-8-4-3-5-9-19)17-16-22-21-10-6-7-11-23(21)29-26(22)25/h3-12,14-18,29H,13H2,1-2H3.
What are the key properties of 1-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-2-phenyl-10H-pyrrolo[3,2-a]carbazole?
1-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-2-phenyl-10H-pyrrolo[3,2-a]carbazole has a molecular weight of 388.51 g/mol, XLogP of 7.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(4-methylcyclohexa-1,5-dien-1-yl)-2-phenyl-10H-pyrrolo[3,2-a]carbazole is sourced from PubChem (CID 145243302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).