9-[(E)-but-2-en-2-yl]-4-methyl-3-(2-methylphenyl)carbazole

C24H23N — CID 144848312

IUPAC9-[(E)-but-2-en-2-yl]-4-methyl-3-(2-methylphenyl)carbazole
SMILESC/C=C(\C)n1c2ccccc2c2c(C)c(-c3ccccc3C)ccc21
InChIInChI=1S/C24H23N/c1-5-17(3)25-22-13-9-8-12-21(22)24-18(4)20(14-15-23(24)25)19-11-7-6-10-16(19)2/h5-15H,1-4H3/b17-5+
InChIKeyXAEHDQNEDHBCTE-YAXRCOADSA-N
MW325.46 g/mol
LogP6.96
Rot. Bonds2

About 9-[(E)-but-2-en-2-yl]-4-methyl-3-(2-methylphenyl)carbazole

9-[(E)-but-2-en-2-yl]-4-methyl-3-(2-methylphenyl)carbazole (PubChem CID 144848312) has the molecular formula C24H23N and a molecular weight of 325.46 g/mol. Its IUPAC name is 9-[(E)-but-2-en-2-yl]-4-methyl-3-(2-methylphenyl)carbazole.

Molecular Properties

Compound Name9-[(E)-but-2-en-2-yl]-4-methyl-3-(2-methylphenyl)carbazole
PubChem CID144848312
Molecular FormulaC24H23N
Molecular Weight325.46 g/mol
Exact Mass325.18
IUPAC Name9-[(E)-but-2-en-2-yl]-4-methyl-3-(2-methylphenyl)carbazole
SMILESC/C=C(\C)n1c2ccccc2c2c(C)c(-c3ccccc3C)ccc21
InChIInChI=1S/C24H23N/c1-5-17(3)25-22-13-9-8-12-21(22)24-18(4)20(14-15-23(24)25)19-11-7-6-10-16(19)2/h5-15H,1-4H3/b17-5+
InChIKeyXAEHDQNEDHBCTE-YAXRCOADSA-N
XLogP6.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[2-methyl-3-(2-methylphenyl)phenyl]carbazole
CID 67374081
11-[(Z)-but-2-en-2-yl]-12H-indeno[2,1-a]carbazole
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9-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-3-methyl-N,N-diphenylcarbazol-4-amine
CID 89037399
5,20-bis[2-(2-methylphenyl)phenyl]-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18(23),19,21,25,27,29-pentadecaene
CID 154591214
ethane;1-methyl-2-(2-methylphenyl)naphtho[1,2-b][1]benzofuran
CID 144645370
1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole
CID 144605644
N-(4-carbazol-9-ylphenyl)-N,3-dimethyl-4-(2-methylphenyl)aniline
CID 71107984
1,3-dimethyl-2-(2-methylphenyl)benzo[e]indole;ethane
CID 144605643
3-[3-methyl-4-(2-methylphenyl)phenyl]-7-naphthalen-2-ylbenzo[c]carbazole
CID 145064061
9-[2-(2-methylphenyl)phenyl]-3-phenylcarbazole
CID 170070142
3-[3-iodo-4-(2-methylphenyl)phenyl]-9-phenylcarbazole
CID 118888312
9-phenyl-14-prop-1-en-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 142355826

Frequently Asked Questions

What is the IUPAC name of 9-[(E)-but-2-en-2-yl]-4-methyl-3-(2-methylphenyl)carbazole?
The IUPAC name of 9-[(E)-but-2-en-2-yl]-4-methyl-3-(2-methylphenyl)carbazole (CID 144848312) is 9-[(E)-but-2-en-2-yl]-4-methyl-3-(2-methylphenyl)carbazole.
What is the SMILES notation for 9-[(E)-but-2-en-2-yl]-4-methyl-3-(2-methylphenyl)carbazole?
The canonical SMILES for 9-[(E)-but-2-en-2-yl]-4-methyl-3-(2-methylphenyl)carbazole is C/C=C(\C)n1c2ccccc2c2c(C)c(-c3ccccc3C)ccc21.
What is the InChIKey of 9-[(E)-but-2-en-2-yl]-4-methyl-3-(2-methylphenyl)carbazole?
The InChIKey is XAEHDQNEDHBCTE-YAXRCOADSA-N. The full InChI is InChI=1S/C24H23N/c1-5-17(3)25-22-13-9-8-12-21(22)24-18(4)20(14-15-23(24)25)19-11-7-6-10-16(19)2/h5-15H,1-4H3/b17-5+.
What are the key properties of 9-[(E)-but-2-en-2-yl]-4-methyl-3-(2-methylphenyl)carbazole?
9-[(E)-but-2-en-2-yl]-4-methyl-3-(2-methylphenyl)carbazole has a molecular weight of 325.46 g/mol, XLogP of 6.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(E)-but-2-en-2-yl]-4-methyl-3-(2-methylphenyl)carbazole is sourced from PubChem (CID 144848312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).