3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole

C39H30N2O3S — CID 144918544

IUPAC3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole
SMILESCOc1ccc2c(c1)c1ccccc1n2-c1ccc(Sc2ccc(-n3c4ccc(OC)cc4c4cc(OC)ccc43)cc2)cc1
InChIInChI=1S/C39H30N2O3S/c1-42-27-12-19-37-33(22-27)32-6-4-5-7-36(32)40(37)25-8-15-30(16-9-25)45-31-17-10-26(11-18-31)41-38-20-13-28(43-2)23-34(38)35-24-29(44-3)14-21-39(35)41/h4-24H,1-3H3
InChIKeyOQBYKFQHFTZCHJ-UHFFFAOYSA-N
MW606.75 g/mol
LogP10.06
Rot. Bonds7

About 3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole

3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole (PubChem CID 144918544) has the molecular formula C39H30N2O3S and a molecular weight of 606.75 g/mol. Its IUPAC name is 3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole.

Molecular Properties

Compound Name3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole
PubChem CID144918544
Molecular FormulaC39H30N2O3S
Molecular Weight606.75 g/mol
Exact Mass606.20
IUPAC Name3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole
SMILESCOc1ccc2c(c1)c1ccccc1n2-c1ccc(Sc2ccc(-n3c4ccc(OC)cc4c4cc(OC)ccc43)cc2)cc1
InChIInChI=1S/C39H30N2O3S/c1-42-27-12-19-37-33(22-27)32-6-4-5-7-36(32)40(37)25-8-15-30(16-9-25)45-31-17-10-26(11-18-31)41-38-20-13-28(43-2)23-34(38)35-24-29(44-3)14-21-39(35)41/h4-24H,1-3H3
InChIKeyOQBYKFQHFTZCHJ-UHFFFAOYSA-N
XLogP10.06
TPSA37.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.75
LogP ≤ 510.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(4-methoxyphenyl)ethynyl]-9-[4-[3-[2-(4-methoxyphenyl)ethynyl]carbazol-9-yl]phenyl]carbazole
CID 132541703
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole
CID 102501800
9-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethenyl]carbazole
CID 54402774
9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole
CID 177244536
2-[2-cyano-4-(3-methoxycarbazol-9-yl)phenyl]-5-(3-methoxycarbazol-9-yl)benzonitrile
CID 138735973
2-[2-cyano-5-(3-methoxycarbazol-9-yl)phenyl]-4-(3-methoxycarbazol-9-yl)benzonitrile
CID 138749753
3-[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]-9-(4-methoxyphenyl)carbazole;3-[9-(4-carbazol-9-ylphenyl)-6-methoxycarbazol-3-yl]-6-methoxy-9-phenylcarbazole;[9-(4-carbazol-9-ylphenyl)-6-(9-phenyl-6-trimethylsilylcarbazol-3-yl)carbazol-3-yl]-trimethylsilane
CID 157135104
[6-carbazol-9-yl-9-(4-methoxyphenyl)carbazol-3-yl]boronic acid
CID 140873138
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole
CID 165075520
2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine
CID 144963426
3-methoxy-9-(trifluoromethyl)carbazole
CID 153297232

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole?
The IUPAC name of 3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole (CID 144918544) is 3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole.
What is the SMILES notation for 3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole?
The canonical SMILES for 3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole is COc1ccc2c(c1)c1ccccc1n2-c1ccc(Sc2ccc(-n3c4ccc(OC)cc4c4cc(OC)ccc43)cc2)cc1.
What is the InChIKey of 3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole?
The InChIKey is OQBYKFQHFTZCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N2O3S/c1-42-27-12-19-37-33(22-27)32-6-4-5-7-36(32)40(37)25-8-15-30(16-9-25)45-31-17-10-26(11-18-31)41-38-20-13-28(43-2)23-34(38)35-24-29(44-3)14-21-39(35)41/h4-24H,1-3H3.
What are the key properties of 3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole?
3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole has a molecular weight of 606.75 g/mol, XLogP of 10.06, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole is sourced from PubChem (CID 144918544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).