6,12-bis(4-chlorophenyl)-1,3,7,9-tetramethoxy-5,6,11,12-tetrahydroindolo[3,2-b]carbazole

C34H28Cl2N2O4 — CID 11966455

IUPAC6,12-bis(4-chlorophenyl)-1,3,7,9-tetramethoxy-5,6,11,12-tetrahydroindolo[3,2-b]carbazole
SMILESCOc1cc(OC)c2c3c([nH]c2c1)C(c1ccc(Cl)cc1)c1c([nH]c2cc(OC)cc(OC)c12)C3c1ccc(Cl)cc1
InChIInChI=1S/C34H28Cl2N2O4/c1-39-21-13-23-29(25(15-21)41-3)31-27(17-5-9-19(35)10-6-17)34-32(28(33(31)37-23)18-7-11-20(36)12-8-18)30-24(38-34)14-22(40-2)16-26(30)42-4/h5-16,27-28,37-38H,1-4H3
InChIKeyXHFQADQUSWFMPK-UHFFFAOYSA-N
MW599.51 g/mol
LogP8.66
Rot. Bonds6

About 6,12-bis(4-chlorophenyl)-1,3,7,9-tetramethoxy-5,6,11,12-tetrahydroindolo[3,2-b]carbazole

6,12-bis(4-chlorophenyl)-1,3,7,9-tetramethoxy-5,6,11,12-tetrahydroindolo[3,2-b]carbazole (PubChem CID 11966455) has the molecular formula C34H28Cl2N2O4 and a molecular weight of 599.51 g/mol. Its IUPAC name is 6,12-bis(4-chlorophenyl)-1,3,7,9-tetramethoxy-5,6,11,12-tetrahydroindolo[3,2-b]carbazole.

Molecular Properties

Compound Name6,12-bis(4-chlorophenyl)-1,3,7,9-tetramethoxy-5,6,11,12-tetrahydroindolo[3,2-b]carbazole
PubChem CID11966455
Molecular FormulaC34H28Cl2N2O4
Molecular Weight599.51 g/mol
Exact Mass598.14
IUPAC Name6,12-bis(4-chlorophenyl)-1,3,7,9-tetramethoxy-5,6,11,12-tetrahydroindolo[3,2-b]carbazole
SMILESCOc1cc(OC)c2c3c([nH]c2c1)C(c1ccc(Cl)cc1)c1c([nH]c2cc(OC)cc(OC)c12)C3c1ccc(Cl)cc1
InChIInChI=1S/C34H28Cl2N2O4/c1-39-21-13-23-29(25(15-21)41-3)31-27(17-5-9-19(35)10-6-17)34-32(28(33(31)37-23)18-7-11-20(36)12-8-18)30-24(38-34)14-22(40-2)16-26(30)42-4/h5-16,27-28,37-38H,1-4H3
InChIKeyXHFQADQUSWFMPK-UHFFFAOYSA-N
XLogP8.66
TPSA68.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.51
LogP ≤ 58.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-4,6-dimethoxy-1H-indole
CID 11033510
1-[3-(4-chlorophenyl)-4,6-dimethoxy-1H-indol-2-yl]-2-piperidin-1-ylethane-1,2-dione
CID 118727765
2-(4,6-dimethoxy-3-methyl-1H-indol-2-yl)ethanamine
CID 82496387
1,3,8,9-tetramethoxy-5H-phenanthridin-6-one
CID 12803228
1,3,6,8-tetramethoxy-5,10-bis(4-methoxyphenyl)-5,10-dihydroindeno[2,1-a]indene
CID 102287735
5,7-dimethoxy-4-phenyl-1H-quinolin-2-one
CID 91614117
4-chloro-N-(2,4,6-trimethoxyphenyl)benzamide
CID 110778514
5,7-dimethoxy-3-methyl-2,3,4,9-tetrahydro-1H-carbazole
CID 71390259
5,7-dimethoxy-3-(4-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 11580706
2-(4-chlorophenyl)sulfanyl-5,7-dimethoxychromen-4-one
CID 22906479
1-(4-chlorophenyl)-6-methoxy-2-methyl-1H-indene
CID 46867285
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877

Frequently Asked Questions

What is the IUPAC name of 6,12-bis(4-chlorophenyl)-1,3,7,9-tetramethoxy-5,6,11,12-tetrahydroindolo[3,2-b]carbazole?
The IUPAC name of 6,12-bis(4-chlorophenyl)-1,3,7,9-tetramethoxy-5,6,11,12-tetrahydroindolo[3,2-b]carbazole (CID 11966455) is 6,12-bis(4-chlorophenyl)-1,3,7,9-tetramethoxy-5,6,11,12-tetrahydroindolo[3,2-b]carbazole.
What is the SMILES notation for 6,12-bis(4-chlorophenyl)-1,3,7,9-tetramethoxy-5,6,11,12-tetrahydroindolo[3,2-b]carbazole?
The canonical SMILES for 6,12-bis(4-chlorophenyl)-1,3,7,9-tetramethoxy-5,6,11,12-tetrahydroindolo[3,2-b]carbazole is COc1cc(OC)c2c3c([nH]c2c1)C(c1ccc(Cl)cc1)c1c([nH]c2cc(OC)cc(OC)c12)C3c1ccc(Cl)cc1.
What is the InChIKey of 6,12-bis(4-chlorophenyl)-1,3,7,9-tetramethoxy-5,6,11,12-tetrahydroindolo[3,2-b]carbazole?
The InChIKey is XHFQADQUSWFMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28Cl2N2O4/c1-39-21-13-23-29(25(15-21)41-3)31-27(17-5-9-19(35)10-6-17)34-32(28(33(31)37-23)18-7-11-20(36)12-8-18)30-24(38-34)14-22(40-2)16-26(30)42-4/h5-16,27-28,37-38H,1-4H3.
What are the key properties of 6,12-bis(4-chlorophenyl)-1,3,7,9-tetramethoxy-5,6,11,12-tetrahydroindolo[3,2-b]carbazole?
6,12-bis(4-chlorophenyl)-1,3,7,9-tetramethoxy-5,6,11,12-tetrahydroindolo[3,2-b]carbazole has a molecular weight of 599.51 g/mol, XLogP of 8.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,12-bis(4-chlorophenyl)-1,3,7,9-tetramethoxy-5,6,11,12-tetrahydroindolo[3,2-b]carbazole is sourced from PubChem (CID 11966455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).