3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole

C48H30N2S — CID 176854301

IUPAC3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c3c2sc2ccccc23)cc1
InChIInChI=1S/C48H30N2S/c1-3-13-31(14-4-1)35-25-28-45(47-38-19-9-12-22-46(38)51-48(35)47)50-42-21-11-8-18-37(42)40-30-33(24-27-44(40)50)32-23-26-43-39(29-32)36-17-7-10-20-41(36)49(43)34-15-5-2-6-16-34/h1-30H
InChIKeyDQNCNNNZIMDDGR-UHFFFAOYSA-N
MW666.85 g/mol
LogP13.58
Rot. Bonds4

About 3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole

3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole (PubChem CID 176854301) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole
PubChem CID176854301
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC Name3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c3c2sc2ccccc23)cc1
InChIInChI=1S/C48H30N2S/c1-3-13-31(14-4-1)35-25-28-45(47-38-19-9-12-22-46(38)51-48(35)47)50-42-21-11-8-18-37(42)40-30-33(24-27-44(40)50)32-23-26-43-39(29-32)36-17-7-10-20-41(36)49(43)34-15-5-2-6-16-34/h1-30H
InChIKeyDQNCNNNZIMDDGR-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

5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-2,11-diphenylindolo[3,2-b]carbazole
CID 155160087
3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-1-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole;3-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzothiophen-3-yl]carbazole
CID 158362504
2-(9-phenylcarbazol-3-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 162488955
3-(9-phenylcarbazol-2-yl)-9-[1-(3-phenylphenyl)dibenzothiophen-4-yl]carbazole
CID 146490880
2-[9-(1-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146490875
3-[4-(9-dibenzothiophen-1-ylcarbazol-3-yl)phenyl]-9-phenylcarbazole
CID 118148116
3-(9-phenylcarbazol-3-yl)-9-(1-phenyldibenzothiophen-2-yl)carbazole
CID 174371073
3-(9-dibenzothiophen-1-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzothiophen-1-yl)carbazole
CID 165095044
3-[9-(9-phenyldibenzothiophen-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 174245078
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
3-carbazol-9-yl-9-[1-(3-carbazol-9-ylcarbazol-9-yl)dibenzothiophen-4-yl]carbazole
CID 176831699

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole (CID 176854301) is 3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c3c2sc2ccccc23)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole?
The InChIKey is DQNCNNNZIMDDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-3-13-31(14-4-1)35-25-28-45(47-38-19-9-12-22-46(38)51-48(35)47)50-42-21-11-8-18-37(42)40-30-33(24-27-44(40)50)32-23-26-43-39(29-32)36-17-7-10-20-41(36)49(43)34-15-5-2-6-16-34/h1-30H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole?
3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-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 3-(9-phenylcarbazol-3-yl)-9-(4-phenyldibenzothiophen-1-yl)carbazole is sourced from PubChem (CID 176854301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).