1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole

C48H30N2S — CID 121323828

IUPAC1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6cccc(-c7cccc8c7sc7ccccc78)c65)cc4)ccc32)cc1
InChIInChI=1S/C48H30N2S/c1-2-12-33(13-3-1)49-43-21-7-5-15-36(43)42-30-32(26-29-45(42)49)31-24-27-34(28-25-31)50-44-22-8-4-14-35(44)38-17-10-18-39(47(38)50)41-20-11-19-40-37-16-6-9-23-46(37)51-48(40)41/h1-30H
InChIKeyPVKAKMHQDGYBSP-UHFFFAOYSA-N
MW666.85 g/mol
LogP13.58
Rot. Bonds4

About 1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole

1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole (PubChem CID 121323828) has the molecular formula C48H30N2S and a molecular weight of 666.85 g/mol. Its IUPAC name is 1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole.

Molecular Properties

Compound Name1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
PubChem CID121323828
Molecular FormulaC48H30N2S
Molecular Weight666.85 g/mol
Exact Mass666.21
IUPAC Name1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6cccc(-c7cccc8c7sc7ccccc78)c65)cc4)ccc32)cc1
InChIInChI=1S/C48H30N2S/c1-2-12-33(13-3-1)49-43-21-7-5-15-36(43)42-30-32(26-29-45(42)49)31-24-27-34(28-25-31)50-44-22-8-4-14-35(44)38-17-10-18-39(47(38)50)41-20-11-19-40-37-16-6-9-23-46(37)51-48(40)41/h1-30H
InChIKeyPVKAKMHQDGYBSP-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

Analyze 1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)-9-(4-phenylphenyl)carbazole
CID 139496848
12-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 90050986
3,9-bis(4-dibenzothiophen-4-ylphenyl)carbazole
CID 121449396
3-[9-(4-dibenzothiophen-3-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-phenylcarbazole
CID 158400011
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
9-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-3-phenylcarbazole
CID 123499174
2-dibenzothiophen-4-yl-9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 129087238
3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065103
12-(6-dibenzothiophen-4-yldibenzothiophen-2-yl)-5,9-diphenylindolo[3,2-c]carbazole
CID 146533062
5-(4-dibenzothiophen-4-ylphenyl)-7-phenyl-2-(3-phenylphenyl)indolo[2,3-b]carbazole
CID 126579925
3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 159995207
1-dibenzothiophen-4-yl-9-(4-phenyl-1-benzofuran-2-yl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 159815376

Frequently Asked Questions

What is the IUPAC name of 1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The IUPAC name of 1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole (CID 121323828) is 1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole.
What is the SMILES notation for 1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The canonical SMILES for 1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-n5c6ccccc6c6cccc(-c7cccc8c7sc7ccccc78)c65)cc4)ccc32)cc1.
What is the InChIKey of 1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole?
The InChIKey is PVKAKMHQDGYBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2S/c1-2-12-33(13-3-1)49-43-21-7-5-15-36(43)42-30-32(26-29-45(42)49)31-24-27-34(28-25-31)50-44-22-8-4-14-35(44)38-17-10-18-39(47(38)50)41-20-11-19-40-37-16-6-9-23-46(37)51-48(40)41/h1-30H.
What are the key properties of 1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole?
1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]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 1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole is sourced from PubChem (CID 121323828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).