3-(9H-carbazol-3-yl)-2-methylsulfanyl-9-(2-phenylphenyl)carbazole

C37H26N2S — CID 145025232

IUPAC3-(9H-carbazol-3-yl)-2-methylsulfanyl-9-(2-phenylphenyl)carbazole
SMILESCSc1cc2c(cc1-c1ccc3[nH]c4ccccc4c3c1)c1ccccc1n2-c1ccccc1-c1ccccc1
InChIInChI=1S/C37H26N2S/c1-40-37-23-36-31(22-29(37)25-19-20-33-30(21-25)27-14-5-8-16-32(27)38-33)28-15-7-10-18-35(28)39(36)34-17-9-6-13-26(34)24-11-3-2-4-12-24/h2-23,38H,1H3
InChIKeyARMGCLKJIJFPHP-UHFFFAOYSA-N
MW530.70 g/mol
LogP10.47
Rot. Bonds4

About 3-(9H-carbazol-3-yl)-2-methylsulfanyl-9-(2-phenylphenyl)carbazole

3-(9H-carbazol-3-yl)-2-methylsulfanyl-9-(2-phenylphenyl)carbazole (PubChem CID 145025232) has the molecular formula C37H26N2S and a molecular weight of 530.70 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-2-methylsulfanyl-9-(2-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-(9H-carbazol-3-yl)-2-methylsulfanyl-9-(2-phenylphenyl)carbazole
PubChem CID145025232
Molecular FormulaC37H26N2S
Molecular Weight530.70 g/mol
Exact Mass530.18
IUPAC Name3-(9H-carbazol-3-yl)-2-methylsulfanyl-9-(2-phenylphenyl)carbazole
SMILESCSc1cc2c(cc1-c1ccc3[nH]c4ccccc4c3c1)c1ccccc1n2-c1ccccc1-c1ccccc1
InChIInChI=1S/C37H26N2S/c1-40-37-23-36-31(22-29(37)25-19-20-33-30(21-25)27-14-5-8-16-32(27)38-33)28-15-7-10-18-35(28)39(36)34-17-9-6-13-26(34)24-11-3-2-4-12-24/h2-23,38H,1H3
InChIKeyARMGCLKJIJFPHP-UHFFFAOYSA-N
XLogP10.47
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.70
LogP ≤ 510.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9-[4-(9H-carbazol-3-yl)phenyl]-3,6-bis(2-phenylphenyl)carbazole
CID 59306592
3-(9H-carbazol-3-yl)-9-(2-propan-2-ylphenyl)carbazole
CID 59306791
5-phenyl-11-[2-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 164847594
3-[9-(2-phenylphenyl)carbazol-3-yl]-9-[2-[4-[4-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 154590713
5-[2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-7H-indolo[2,3-b]carbazole
CID 170138983
3,6-bis(2-carbazol-9-yl-4,5-dimethylphenyl)-9H-carbazole
CID 59306803
3-dibenzothiophen-4-yl-9H-carbazole;3-dibenzothiophen-4-yl-9-phenylcarbazole
CID 162055405
1-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 59307184
3,6-bis(4-carbazol-9-yl-2,3-dimethylphenyl)-9H-carbazole
CID 59306810
3,6-bis[9-(2-methylphenyl)carbazol-3-yl]-9H-carbazole
CID 59307119
(Z)-but-2-ene;3-(9H-carbazol-3-yl)-9-phenylcarbazole
CID 145055834
3-(9-phenylcarbazol-3-yl)-6-[4-(9-phenylcarbazol-3-yl)phenyl]-9H-carbazole
CID 59307187

Frequently Asked Questions

What is the IUPAC name of 3-(9H-carbazol-3-yl)-2-methylsulfanyl-9-(2-phenylphenyl)carbazole?
The IUPAC name of 3-(9H-carbazol-3-yl)-2-methylsulfanyl-9-(2-phenylphenyl)carbazole (CID 145025232) is 3-(9H-carbazol-3-yl)-2-methylsulfanyl-9-(2-phenylphenyl)carbazole.
What is the SMILES notation for 3-(9H-carbazol-3-yl)-2-methylsulfanyl-9-(2-phenylphenyl)carbazole?
The canonical SMILES for 3-(9H-carbazol-3-yl)-2-methylsulfanyl-9-(2-phenylphenyl)carbazole is CSc1cc2c(cc1-c1ccc3[nH]c4ccccc4c3c1)c1ccccc1n2-c1ccccc1-c1ccccc1.
What is the InChIKey of 3-(9H-carbazol-3-yl)-2-methylsulfanyl-9-(2-phenylphenyl)carbazole?
The InChIKey is ARMGCLKJIJFPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H26N2S/c1-40-37-23-36-31(22-29(37)25-19-20-33-30(21-25)27-14-5-8-16-32(27)38-33)28-15-7-10-18-35(28)39(36)34-17-9-6-13-26(34)24-11-3-2-4-12-24/h2-23,38H,1H3.
What are the key properties of 3-(9H-carbazol-3-yl)-2-methylsulfanyl-9-(2-phenylphenyl)carbazole?
3-(9H-carbazol-3-yl)-2-methylsulfanyl-9-(2-phenylphenyl)carbazole has a molecular weight of 530.70 g/mol, XLogP of 10.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9H-carbazol-3-yl)-2-methylsulfanyl-9-(2-phenylphenyl)carbazole is sourced from PubChem (CID 145025232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).