9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole

C34H28N2O6S — CID 146530442

IUPAC9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(S(=O)(=O)n2c3ccc(OC)cc3c3cc(OC)ccc32)cc1
InChIInChI=1S/C34H28N2O6S/c1-39-22-7-13-31-27(17-22)28-18-23(40-2)8-14-32(28)35(31)21-5-11-26(12-6-21)43(37,38)36-33-15-9-24(41-3)19-29(33)30-20-25(42-4)10-16-34(30)36/h5-20H,1-4H3
InChIKeyCACRNEHMVRXNRF-UHFFFAOYSA-N
MW592.67 g/mol
LogP7.16
Rot. Bonds7

About 9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole

9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole (PubChem CID 146530442) has the molecular formula C34H28N2O6S and a molecular weight of 592.67 g/mol. Its IUPAC name is 9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole.

Molecular Properties

Compound Name9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole
PubChem CID146530442
Molecular FormulaC34H28N2O6S
Molecular Weight592.67 g/mol
Exact Mass592.17
IUPAC Name9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole
SMILESCOc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(S(=O)(=O)n2c3ccc(OC)cc3c3cc(OC)ccc32)cc1
InChIInChI=1S/C34H28N2O6S/c1-39-22-7-13-31-27(17-22)28-18-23(40-2)8-14-32(28)35(31)21-5-11-26(12-6-21)43(37,38)36-33-15-9-24(41-3)19-29(33)30-20-25(42-4)10-16-34(30)36/h5-20H,1-4H3
InChIKeyCACRNEHMVRXNRF-UHFFFAOYSA-N
XLogP7.16
TPSA80.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.67
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

9-[4-[2-[4-(benzenesulfonyl)phenyl]phenyl]phenyl]-3,6-dimethoxycarbazole
CID 122683133
9-[4-[(E)-2-[4-[4-(benzenesulfonyl)phenyl]phenyl]ethenyl]phenyl]-3,6-dimethoxycarbazole
CID 130339144
3-(3-carbazol-9-ylcarbazol-9-yl)-9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazole
CID 24814813
3-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)carbazol-9-yl]carbazol-9-yl]-9-[9-[9-[9-(4-methylphenyl)sulfonylcarbazol-3-yl]carbazol-3-yl]carbazol-3-yl]carbazole
CID 25209134
3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole
CID 144918544
9-(4-formylphenyl)-6-[6-[6-methoxy-9-(4-methoxyphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazol-3-yl]carbazole-3-carbaldehyde
CID 148796534
5-methoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-prop-2-enylindole
CID 71722470
2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine
CID 144963426
9-[9-(benzenesulfonyl)-6-(3,6-diphenylcarbazol-9-yl)carbazol-3-yl]-3,6-diphenylcarbazole
CID 88878835
5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one
CID 110169575
3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylindole
CID 11339335
2,4-bis(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylindole
CID 102128726

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole?
The IUPAC name of 9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole (CID 146530442) is 9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole.
What is the SMILES notation for 9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole?
The canonical SMILES for 9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole is COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc(S(=O)(=O)n2c3ccc(OC)cc3c3cc(OC)ccc32)cc1.
What is the InChIKey of 9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole?
The InChIKey is CACRNEHMVRXNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28N2O6S/c1-39-22-7-13-31-27(17-22)28-18-23(40-2)8-14-32(28)35(31)21-5-11-26(12-6-21)43(37,38)36-33-15-9-24(41-3)19-29(33)30-20-25(42-4)10-16-34(30)36/h5-20H,1-4H3.
What are the key properties of 9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole?
9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole has a molecular weight of 592.67 g/mol, XLogP of 7.16, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole is sourced from PubChem (CID 146530442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).