5,6-bis(4-methoxyphenyl)-11,12-dimethylindolo[2,3-a]carbazole

C34H28N2O2 — CID 135059707

IUPAC5,6-bis(4-methoxyphenyl)-11,12-dimethylindolo[2,3-a]carbazole
SMILESCOc1ccc(-c2c(-c3ccc(OC)cc3)c3c4ccccc4n(C)c3c3c2c2ccccc2n3C)cc1
InChIInChI=1S/C34H28N2O2/c1-35-27-11-7-5-9-25(27)31-29(21-13-17-23(37-3)18-14-21)30(22-15-19-24(38-4)20-16-22)32-26-10-6-8-12-28(26)36(2)34(32)33(31)35/h5-20H,1-4H3
InChIKeyYUXITKITMVDXKL-UHFFFAOYSA-N
MW496.61 g/mol
LogP8.33
Rot. Bonds4

About 5,6-bis(4-methoxyphenyl)-11,12-dimethylindolo[2,3-a]carbazole

5,6-bis(4-methoxyphenyl)-11,12-dimethylindolo[2,3-a]carbazole (PubChem CID 135059707) has the molecular formula C34H28N2O2 and a molecular weight of 496.61 g/mol. Its IUPAC name is 5,6-bis(4-methoxyphenyl)-11,12-dimethylindolo[2,3-a]carbazole.

Molecular Properties

Compound Name5,6-bis(4-methoxyphenyl)-11,12-dimethylindolo[2,3-a]carbazole
PubChem CID135059707
Molecular FormulaC34H28N2O2
Molecular Weight496.61 g/mol
Exact Mass496.22
IUPAC Name5,6-bis(4-methoxyphenyl)-11,12-dimethylindolo[2,3-a]carbazole
SMILESCOc1ccc(-c2c(-c3ccc(OC)cc3)c3c4ccccc4n(C)c3c3c2c2ccccc2n3C)cc1
InChIInChI=1S/C34H28N2O2/c1-35-27-11-7-5-9-25(27)31-29(21-13-17-23(37-3)18-14-21)30(22-15-19-24(38-4)20-16-22)32-26-10-6-8-12-28(26)36(2)34(32)33(31)35/h5-20H,1-4H3
InChIKeyYUXITKITMVDXKL-UHFFFAOYSA-N
XLogP8.33
TPSA28.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indol-2-ium bromide
CID 25154820
N,N-diethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]acetamide
CID 145951649
2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 155526405
N-ethyl-2-[3-(4-methoxyphenyl)carbazol-9-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 155547788
N-(2-carbazol-9-ylethyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 9820170
10-methoxy-N-[2-[4-[1-[2-[(10-methoxy-6,7-dimethylbenzo[c]carbazol-2-yl)amino]ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-6,7-dimethylbenzo[c]carbazol-2-amine;dihydrochloride
CID 49796274
2-Methoxy-11-[2-(1-piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole
CID 390897
6-Cyano-5-methoxy-11-methyl-12-methylindolo[2,3-a]carbazole
CID 11724766
N,N'-bis[[1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methyl]pentane-1,5-diamine
CID 132837665
N,N'-bis[[9-hexyl-1-(4-methoxyphenyl)pyrido[3,4-b]indol-3-yl]methyl]hexane-1,6-diamine
CID 145966136
N,N'-bis[[1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methyl]butane-1,4-diamine
CID 145972285
N,N'-bis[[9-benzyl-1-(4-methoxyphenyl)pyrido[3,4-b]indol-3-yl]methyl]hexane-1,6-diamine
CID 145973729

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methoxyphenyl)-11,12-dimethylindolo[2,3-a]carbazole?
The IUPAC name of 5,6-bis(4-methoxyphenyl)-11,12-dimethylindolo[2,3-a]carbazole (CID 135059707) is 5,6-bis(4-methoxyphenyl)-11,12-dimethylindolo[2,3-a]carbazole.
What is the SMILES notation for 5,6-bis(4-methoxyphenyl)-11,12-dimethylindolo[2,3-a]carbazole?
The canonical SMILES for 5,6-bis(4-methoxyphenyl)-11,12-dimethylindolo[2,3-a]carbazole is COc1ccc(-c2c(-c3ccc(OC)cc3)c3c4ccccc4n(C)c3c3c2c2ccccc2n3C)cc1.
What is the InChIKey of 5,6-bis(4-methoxyphenyl)-11,12-dimethylindolo[2,3-a]carbazole?
The InChIKey is YUXITKITMVDXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O2/c1-35-27-11-7-5-9-25(27)31-29(21-13-17-23(37-3)18-14-21)30(22-15-19-24(38-4)20-16-22)32-26-10-6-8-12-28(26)36(2)34(32)33(31)35/h5-20H,1-4H3.
What are the key properties of 5,6-bis(4-methoxyphenyl)-11,12-dimethylindolo[2,3-a]carbazole?
5,6-bis(4-methoxyphenyl)-11,12-dimethylindolo[2,3-a]carbazole has a molecular weight of 496.61 g/mol, XLogP of 8.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methoxyphenyl)-11,12-dimethylindolo[2,3-a]carbazole is sourced from PubChem (CID 135059707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).