3-(6,9-diphenylcarbazol-3-yl)sulfanyl-9-[3-(9-methylcarbazol-3-yl)phenyl]-6-phenylcarbazole

C61H41N3S — CID 71232722

IUPAC3-(6,9-diphenylcarbazol-3-yl)sulfanyl-9-[3-(9-methylcarbazol-3-yl)phenyl]-6-phenylcarbazole
SMILESCn1c2ccccc2c2cc(-c3cccc(-n4c5ccc(Sc6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c3)ccc21
InChIInChI=1S/C61H41N3S/c1-62-56-23-12-11-22-50(56)51-37-45(24-29-57(51)62)42-18-13-21-47(34-42)64-59-31-26-44(41-16-7-3-8-17-41)36-53(59)55-39-49(28-33-61(55)64)65-48-27-32-60-54(38-48)52-35-43(40-14-5-2-6-15-40)25-30-58(52)63(60)46-19-9-4-10-20-46/h2-39H,1H3
InChIKeyCXAPDUVIEFBKDL-UHFFFAOYSA-N
MW848.09 g/mol
LogP16.68
Rot. Bonds7

About 3-(6,9-diphenylcarbazol-3-yl)sulfanyl-9-[3-(9-methylcarbazol-3-yl)phenyl]-6-phenylcarbazole

3-(6,9-diphenylcarbazol-3-yl)sulfanyl-9-[3-(9-methylcarbazol-3-yl)phenyl]-6-phenylcarbazole (PubChem CID 71232722) has the molecular formula C61H41N3S and a molecular weight of 848.09 g/mol. Its IUPAC name is 3-(6,9-diphenylcarbazol-3-yl)sulfanyl-9-[3-(9-methylcarbazol-3-yl)phenyl]-6-phenylcarbazole.

Molecular Properties

Compound Name3-(6,9-diphenylcarbazol-3-yl)sulfanyl-9-[3-(9-methylcarbazol-3-yl)phenyl]-6-phenylcarbazole
PubChem CID71232722
Molecular FormulaC61H41N3S
Molecular Weight848.09 g/mol
Exact Mass847.30
IUPAC Name3-(6,9-diphenylcarbazol-3-yl)sulfanyl-9-[3-(9-methylcarbazol-3-yl)phenyl]-6-phenylcarbazole
SMILESCn1c2ccccc2c2cc(-c3cccc(-n4c5ccc(Sc6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c3)ccc21
InChIInChI=1S/C61H41N3S/c1-62-56-23-12-11-22-50(56)51-37-45(24-29-57(51)62)42-18-13-21-47(34-42)64-59-31-26-44(41-16-7-3-8-17-41)36-53(59)55-39-49(28-33-61(55)64)65-48-27-32-60-54(38-48)52-35-43(40-14-5-2-6-15-40)25-30-58(52)63(60)46-19-9-4-10-20-46/h2-39H,1H3
InChIKeyCXAPDUVIEFBKDL-UHFFFAOYSA-N
XLogP16.68
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.09
LogP ≤ 516.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylsulfanylphenyl)phenyl]carbazole
CID 165075520
3,9-diphenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 118449494
3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)phenyl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161279377
3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[3-(4-phenylphenyl)phenyl]carbazole;3-[9-(3-phenylphenyl)carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 161418420
9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118014168
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158435002
3-(4-carbazol-9-ylphenyl)-9-(3-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-(4-phenylphenyl)carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 159533505
5-methyl-2,11-diphenylindolo[3,2-b]carbazole
CID 176615470
9-methyl-3-[3-[9-(9-methyl-6-phenylcarbazol-3-yl)carbazol-3-yl]carbazol-9-yl]-6-phenylcarbazole
CID 71232675
3-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole;9-phenyl-3-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-phenyl-3-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole;9-(3-phenylphenyl)-3-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]carbazole
CID 160802199
9-methyl-3-(3-phenylcarbazol-9-yl)carbazole
CID 118137351
3-[9-(4-phenylphenyl)carbazol-3-yl]-9-[3-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590628

Frequently Asked Questions

What is the IUPAC name of 3-(6,9-diphenylcarbazol-3-yl)sulfanyl-9-[3-(9-methylcarbazol-3-yl)phenyl]-6-phenylcarbazole?
The IUPAC name of 3-(6,9-diphenylcarbazol-3-yl)sulfanyl-9-[3-(9-methylcarbazol-3-yl)phenyl]-6-phenylcarbazole (CID 71232722) is 3-(6,9-diphenylcarbazol-3-yl)sulfanyl-9-[3-(9-methylcarbazol-3-yl)phenyl]-6-phenylcarbazole.
What is the SMILES notation for 3-(6,9-diphenylcarbazol-3-yl)sulfanyl-9-[3-(9-methylcarbazol-3-yl)phenyl]-6-phenylcarbazole?
The canonical SMILES for 3-(6,9-diphenylcarbazol-3-yl)sulfanyl-9-[3-(9-methylcarbazol-3-yl)phenyl]-6-phenylcarbazole is Cn1c2ccccc2c2cc(-c3cccc(-n4c5ccc(Sc6ccc7c(c6)c6cc(-c8ccccc8)ccc6n7-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c3)ccc21.
What is the InChIKey of 3-(6,9-diphenylcarbazol-3-yl)sulfanyl-9-[3-(9-methylcarbazol-3-yl)phenyl]-6-phenylcarbazole?
The InChIKey is CXAPDUVIEFBKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N3S/c1-62-56-23-12-11-22-50(56)51-37-45(24-29-57(51)62)42-18-13-21-47(34-42)64-59-31-26-44(41-16-7-3-8-17-41)36-53(59)55-39-49(28-33-61(55)64)65-48-27-32-60-54(38-48)52-35-43(40-14-5-2-6-15-40)25-30-58(52)63(60)46-19-9-4-10-20-46/h2-39H,1H3.
What are the key properties of 3-(6,9-diphenylcarbazol-3-yl)sulfanyl-9-[3-(9-methylcarbazol-3-yl)phenyl]-6-phenylcarbazole?
3-(6,9-diphenylcarbazol-3-yl)sulfanyl-9-[3-(9-methylcarbazol-3-yl)phenyl]-6-phenylcarbazole has a molecular weight of 848.09 g/mol, XLogP of 16.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,9-diphenylcarbazol-3-yl)sulfanyl-9-[3-(9-methylcarbazol-3-yl)phenyl]-6-phenylcarbazole is sourced from PubChem (CID 71232722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).