9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole

C40H32N2O4S2 — CID 177244536

IUPAC9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole
SMILESCOc1ccc2c3ccc(OC)cc3n(-c3ccc(SSc4ccc(-n5c6cc(OC)ccc6c6ccc(OC)cc65)cc4)cc3)c2c1
InChIInChI=1S/C40H32N2O4S2/c1-43-27-9-17-33-34-18-10-28(44-2)22-38(34)41(37(33)21-27)25-5-13-31(14-6-25)47-48-32-15-7-26(8-16-32)42-39-23-29(45-3)11-19-35(39)36-20-12-30(46-4)24-40(36)42/h5-24H,1-4H3
InChIKeyYPGVRYFJDICURU-UHFFFAOYSA-N
MW668.84 g/mol
LogP10.71
Rot. Bonds9

About 9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole

9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole (PubChem CID 177244536) has the molecular formula C40H32N2O4S2 and a molecular weight of 668.84 g/mol. Its IUPAC name is 9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole.

Molecular Properties

Compound Name9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole
PubChem CID177244536
Molecular FormulaC40H32N2O4S2
Molecular Weight668.84 g/mol
Exact Mass668.18
IUPAC Name9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole
SMILESCOc1ccc2c3ccc(OC)cc3n(-c3ccc(SSc4ccc(-n5c6cc(OC)ccc6c6ccc(OC)cc65)cc4)cc3)c2c1
InChIInChI=1S/C40H32N2O4S2/c1-43-27-9-17-33-34-18-10-28(44-2)22-38(34)41(37(33)21-27)25-5-13-31(14-6-25)47-48-32-15-7-26(8-16-32)42-39-23-29(45-3)11-19-35(39)36-20-12-30(46-4)24-40(36)42/h5-24H,1-4H3
InChIKeyYPGVRYFJDICURU-UHFFFAOYSA-N
XLogP10.71
TPSA46.78 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.84
LogP ≤ 510.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

9-(4-methoxyphenyl)-2,7-dimethylcarbazole
CID 129212267
3,6-dimethoxy-9-[4-[4-(3-methoxycarbazol-9-yl)phenyl]sulfanylphenyl]carbazole
CID 144918544
2-[4-(3,6-dimethoxycarbazol-9-yl)phenyl]ethynamine
CID 144963426
2-methoxy-9-[3-[5-(2-methoxycarbazol-9-yl)-2-(trifluoromethyl)phenyl]-4-(trifluoromethyl)phenyl]carbazole
CID 138750207
9-[4-(3,6-dimethoxycarbazol-9-yl)sulfonylphenyl]-3,6-dimethoxycarbazole
CID 146530442
9-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]carbazole
CID 102501800
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
3-[2-(4-methoxyphenyl)ethynyl]-9-[4-[3-[2-(4-methoxyphenyl)ethynyl]carbazol-9-yl]phenyl]carbazole
CID 132541703
2-[1,5-bis[4-(3,6-dimethoxycarbazol-9-yl)phenyl]penta-1,4-diyn-3-ylidene]propanedinitrile
CID 126727996
2-chloro-1-(4-fluorophenyl)-6-methoxyindole-3-carboxylic acid
CID 66920511
[3-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244570
[4-[3-(2,7-dimethoxycarbazol-9-yl)phenyl]phenyl]phosphonic acid
CID 177244510

Frequently Asked Questions

What is the IUPAC name of 9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole?
The IUPAC name of 9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole (CID 177244536) is 9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole.
What is the SMILES notation for 9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole?
The canonical SMILES for 9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole is COc1ccc2c3ccc(OC)cc3n(-c3ccc(SSc4ccc(-n5c6cc(OC)ccc6c6ccc(OC)cc65)cc4)cc3)c2c1.
What is the InChIKey of 9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole?
The InChIKey is YPGVRYFJDICURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2O4S2/c1-43-27-9-17-33-34-18-10-28(44-2)22-38(34)41(37(33)21-27)25-5-13-31(14-6-25)47-48-32-15-7-26(8-16-32)42-39-23-29(45-3)11-19-35(39)36-20-12-30(46-4)24-40(36)42/h5-24H,1-4H3.
What are the key properties of 9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole?
9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole has a molecular weight of 668.84 g/mol, XLogP of 10.71, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[[4-(2,7-dimethoxycarbazol-9-yl)phenyl]disulfanyl]phenyl]-2,7-dimethoxycarbazole is sourced from PubChem (CID 177244536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).