2-methyl-3,6-diphenyl-9-propan-2-yl-1,2-dihydrocarbazole

C28H27N — CID 167189368

IUPAC2-methyl-3,6-diphenyl-9-propan-2-yl-1,2-dihydrocarbazole
SMILESCC1Cc2c(c3cc(-c4ccccc4)ccc3n2C(C)C)C=C1c1ccccc1
InChIInChI=1S/C28H27N/c1-19(2)29-27-15-14-23(21-10-6-4-7-11-21)17-25(27)26-18-24(20(3)16-28(26)29)22-12-8-5-9-13-22/h4-15,17-20H,16H2,1-3H3
InChIKeyWJZUWMNEVVFCNP-UHFFFAOYSA-N
MW377.53 g/mol
LogP7.62
Rot. Bonds3

About 2-methyl-3,6-diphenyl-9-propan-2-yl-1,2-dihydrocarbazole

2-methyl-3,6-diphenyl-9-propan-2-yl-1,2-dihydrocarbazole (PubChem CID 167189368) has the molecular formula C28H27N and a molecular weight of 377.53 g/mol. Its IUPAC name is 2-methyl-3,6-diphenyl-9-propan-2-yl-1,2-dihydrocarbazole.

Molecular Properties

Compound Name2-methyl-3,6-diphenyl-9-propan-2-yl-1,2-dihydrocarbazole
PubChem CID167189368
Molecular FormulaC28H27N
Molecular Weight377.53 g/mol
Exact Mass377.21
IUPAC Name2-methyl-3,6-diphenyl-9-propan-2-yl-1,2-dihydrocarbazole
SMILESCC1Cc2c(c3cc(-c4ccccc4)ccc3n2C(C)C)C=C1c1ccccc1
InChIInChI=1S/C28H27N/c1-19(2)29-27-15-14-23(21-10-6-4-7-11-21)17-25(27)26-18-24(20(3)16-28(26)29)22-12-8-5-9-13-22/h4-15,17-20H,16H2,1-3H3
InChIKeyWJZUWMNEVVFCNP-UHFFFAOYSA-N
XLogP7.62
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,9-dimethyl-3,7-diphenyl-1,2-dihydrocarbazole
CID 139470456
(4R)-4-methyl-3-phenylcyclopent-2-en-1-one
CID 100920328
9-methyl-3-(9-methylcarbazol-3-yl)-6-(4-phenylphenyl)carbazole
CID 134359342
9-(4,6-diphenylpyrimidin-2-yl)-2-methyl-6-phenyl-1,2-dihydrocarbazole
CID 145390737
9-propan-2-yl-2-(9-propan-2-ylcarbazol-2-yl)carbazole
CID 170205010
3-(9-phenylcarbazol-2-yl)-9-propan-2-ylcarbazole
CID 134236460
3-cyclohexa-2,4-dien-1-yl-9-methyl-6-phenylcarbazole
CID 71176031
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-3-(4-phenylphenyl)-6-[4-[9-phenyl-6-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 158399670
3,9-dimethyl-6-phenylcarbazole
CID 59499447
10-methyl-2-phenylacridin-9-one
CID 18533849
9-[6-(3,6-diphenyl-1,2-dihydrocarbazol-9-yl)-9H-carbazol-3-yl]-3,6-diphenylcarbazole
CID 70661535
17-methyl-12,18-diphenyl-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,18,20-nonaene
CID 90943577

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,6-diphenyl-9-propan-2-yl-1,2-dihydrocarbazole?
The IUPAC name of 2-methyl-3,6-diphenyl-9-propan-2-yl-1,2-dihydrocarbazole (CID 167189368) is 2-methyl-3,6-diphenyl-9-propan-2-yl-1,2-dihydrocarbazole.
What is the SMILES notation for 2-methyl-3,6-diphenyl-9-propan-2-yl-1,2-dihydrocarbazole?
The canonical SMILES for 2-methyl-3,6-diphenyl-9-propan-2-yl-1,2-dihydrocarbazole is CC1Cc2c(c3cc(-c4ccccc4)ccc3n2C(C)C)C=C1c1ccccc1.
What is the InChIKey of 2-methyl-3,6-diphenyl-9-propan-2-yl-1,2-dihydrocarbazole?
The InChIKey is WJZUWMNEVVFCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N/c1-19(2)29-27-15-14-23(21-10-6-4-7-11-21)17-25(27)26-18-24(20(3)16-28(26)29)22-12-8-5-9-13-22/h4-15,17-20H,16H2,1-3H3.
What are the key properties of 2-methyl-3,6-diphenyl-9-propan-2-yl-1,2-dihydrocarbazole?
2-methyl-3,6-diphenyl-9-propan-2-yl-1,2-dihydrocarbazole has a molecular weight of 377.53 g/mol, XLogP of 7.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,6-diphenyl-9-propan-2-yl-1,2-dihydrocarbazole is sourced from PubChem (CID 167189368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).