2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole

C48H30N2S — CID 170386169

IUPAC2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)sc2cccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c23)cc1
InChIInChI=1S/C48H30N2S/c1-2-13-31(14-3-1)34-15-4-5-16-35(34)32-25-27-40-47(29-32)51-46-24-12-23-44(48(40)46)50-43-22-11-8-19-38(43)39-28-26-33(30-45(39)50)49-41-20-9-6-17-36(41)37-18-7-10-21-42(37)49/h1-30H
InChIKeySZGRZRUAKSRPQH-UHFFFAOYSA-N
MW666.85 g/mol
LogP13.58
Rot. Bonds4

About 2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole

2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole (PubChem CID 170386169) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole.

Molecular Properties

Compound Name2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole
PubChem CID170386169
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC Name2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)sc2cccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c23)cc1
InChIInChI=1S/C48H30N2S/c1-2-13-31(14-3-1)34-15-4-5-16-35(34)32-25-27-40-47(29-32)51-46-24-12-23-44(48(40)46)50-43-22-11-8-19-38(43)39-28-26-33(30-45(39)50)49-41-20-9-6-17-36(41)37-18-7-10-21-42(37)49/h1-30H
InChIKeySZGRZRUAKSRPQH-UHFFFAOYSA-N
XLogP13.58
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.85
LogP ≤ 513.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbazol-9-yl-9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole
CID 170386162
3-carbazol-9-yl-9-[9-[9-(4-phenylphenyl)dibenzothiophen-1-yl]carbazol-3-yl]carbazole
CID 170386269
3-carbazol-9-yl-9-[9-(9-carbazol-9-yldibenzothiophen-3-yl)carbazol-3-yl]carbazole
CID 176831682
3-(2-carbazol-9-ylphenyl)-9-dibenzothiophen-1-ylcarbazole
CID 90291756
9-(2-dibenzothiophen-3-ylphenyl)-2-(3-phenylphenyl)carbazole
CID 118534297
9-[7-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]dibenzothiophen-1-yl]carbazole
CID 166962189
9-[7-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]dibenzothiophen-1-yl]carbazole
CID 169010953
2-[9-(4-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510069
9-(9-dibenzofuran-3-yldibenzothiophen-3-yl)carbazole
CID 170688529
2-[9-(3-dibenzothiophen-1-ylphenyl)carbazol-4-yl]-9-phenylcarbazole
CID 166510074
2-[9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 166510060
9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]carbazole;9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-2,7-diphenylcarbazole;bis(9-[4-(4-dibenzothiophen-1-ylphenyl)phenyl]-3,6-diphenylcarbazole)
CID 167639510

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole?
The IUPAC name of 2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole (CID 170386169) is 2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole.
What is the SMILES notation for 2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole?
The canonical SMILES for 2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole is c1ccc(-c2ccccc2-c2ccc3c(c2)sc2cccc(-n4c5ccccc5c5ccc(-n6c7ccccc7c7ccccc76)cc54)c23)cc1.
What is the InChIKey of 2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole?
The InChIKey is SZGRZRUAKSRPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-2-13-31(14-3-1)34-15-4-5-16-35(34)32-25-27-40-47(29-32)51-46-24-12-23-44(48(40)46)50-43-22-11-8-19-38(43)39-28-26-33(30-45(39)50)49-41-20-9-6-17-36(41)37-18-7-10-21-42(37)49/h1-30H.
What are the key properties of 2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole?
2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole has a molecular weight of 666.85 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-9-[7-(2-phenylphenyl)dibenzothiophen-1-yl]carbazole is sourced from PubChem (CID 170386169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).