11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole

C28H22N2 — CID 102393691

IUPAC11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole
SMILESC=Cc1ccc(Cn2c3ccccc3c3cc4c(cc32)c2ccccc2n4C)cc1
InChIInChI=1S/C28H22N2/c1-3-19-12-14-20(15-13-19)18-30-26-11-7-5-9-22(26)24-16-27-23(17-28(24)30)21-8-4-6-10-25(21)29(27)2/h3-17H,1,18H2,2H3
InChIKeyQTXYTILMJWSNTH-UHFFFAOYSA-N
MW386.50 g/mol
LogP7.13
Rot. Bonds3

About 11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole

11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole (PubChem CID 102393691) has the molecular formula C28H22N2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole.

Molecular Properties

Compound Name11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole
PubChem CID102393691
Molecular FormulaC28H22N2
Molecular Weight386.50 g/mol
Exact Mass386.18
IUPAC Name11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole
SMILESC=Cc1ccc(Cn2c3ccccc3c3cc4c(cc32)c2ccccc2n4C)cc1
InChIInChI=1S/C28H22N2/c1-3-19-12-14-20(15-13-19)18-30-26-11-7-5-9-22(26)24-16-27-23(17-28(24)30)21-8-4-6-10-25(21)29(27)2/h3-17H,1,18H2,2H3
InChIKeyQTXYTILMJWSNTH-UHFFFAOYSA-N
XLogP7.13
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethenyl-4-(methoxymethyl)benzene;3-ethenyl-9-methylcarbazole
CID 159017435
2-[3-(9-benzylcarbazol-2-yl)-5-(9-benzylcarbazol-3-yl)phenyl]-9-methylcarbazole
CID 146221459
9-benzyl-3-[(E)-prop-1-enyl]carbazole
CID 89489502
5,11-didodecyl-3-[(E)-2-(5-dodecyl-11-methylindolo[3,2-b]carbazol-3-yl)ethenyl]indolo[3,2-b]carbazole
CID 90046031
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
2-ethyl-9-methylcarbazole
CID 71038255
9-[(4-tert-butylphenyl)methyl]carbazole
CID 154964214
9-methylcarbazole-2-carbaldehyde
CID 3152662
9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
6-[(4-ethenylphenyl)methyl]-2-propyl-[1,2,4]triazolo[1,5-c]quinazolin-1-ium-5-one
CID 156590949
9-benzyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole;9-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)carbazole
CID 157247282
2-[3-(3-ethenylphenyl)-5-(9-methylcarbazol-3-yl)phenyl]-9-methylcarbazole
CID 146221538

Frequently Asked Questions

What is the IUPAC name of 11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole?
The IUPAC name of 11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole (CID 102393691) is 11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole.
What is the SMILES notation for 11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole?
The canonical SMILES for 11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole is C=Cc1ccc(Cn2c3ccccc3c3cc4c(cc32)c2ccccc2n4C)cc1.
What is the InChIKey of 11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole?
The InChIKey is QTXYTILMJWSNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N2/c1-3-19-12-14-20(15-13-19)18-30-26-11-7-5-9-22(26)24-16-27-23(17-28(24)30)21-8-4-6-10-25(21)29(27)2/h3-17H,1,18H2,2H3.
What are the key properties of 11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole?
11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole has a molecular weight of 386.50 g/mol, XLogP of 7.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(4-ethenylphenyl)methyl]-5-methylindolo[3,2-b]carbazole is sourced from PubChem (CID 102393691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).