2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole

C54H32N2OS — CID 90348701

IUPAC2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)c(-c4cccc5c6ccccc6n(-c6ccc7oc8ccccc8c7c6)c45)cc32)cc1
InChIInChI=1S/C54H32N2OS/c1-2-14-33(15-3-1)55-47-24-8-5-17-36(47)45-31-43(42-23-13-22-41-38-19-7-11-27-52(38)58-54(41)42)44(32-49(45)55)40-21-12-20-39-35-16-4-9-25-48(35)56(53(39)40)34-28-29-51-46(30-34)37-18-6-10-26-50(37)57-51/h1-32H
InChIKeyAEGZUAHKAYMKSW-UHFFFAOYSA-N
MW756.93 g/mol
LogP15.48
Rot. Bonds4

About 2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole

2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole (PubChem CID 90348701) has the molecular formula C54H32N2OS and a molecular weight of 756.93 g/mol. Its IUPAC name is 2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole.

Molecular Properties

Compound Name2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole
PubChem CID90348701
Molecular FormulaC54H32N2OS
Molecular Weight756.93 g/mol
Exact Mass756.22
IUPAC Name2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)c(-c4cccc5c6ccccc6n(-c6ccc7oc8ccccc8c7c6)c45)cc32)cc1
InChIInChI=1S/C54H32N2OS/c1-2-14-33(15-3-1)55-47-24-8-5-17-36(47)45-31-43(42-23-13-22-41-38-19-7-11-27-52(38)58-54(41)42)44(32-49(45)55)40-21-12-20-39-35-16-4-9-25-48(35)56(53(39)40)34-28-29-51-46(30-34)37-18-6-10-26-50(37)57-51/h1-32H
InChIKeyAEGZUAHKAYMKSW-UHFFFAOYSA-N
XLogP15.48
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.93
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole 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

5-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 146533502
7-(6-dibenzothiophen-4-yldibenzofuran-2-yl)-[1]benzofuro[2,3-b]carbazole
CID 146532880
1-[9-(4-dibenzofuran-2-yldibenzothiophen-2-yl)carbazol-4-yl]-9-phenylcarbazole
CID 130265326
5-(6-dibenzofuran-1-yldibenzothiophen-2-yl)-7-phenylindolo[2,3-b]carbazole
CID 146532915
15-(4-dibenzothiophen-4-ylphenyl)-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-(9-phenylcarbazol-3-yl)-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene;15-[4-(9-phenylcarbazol-3-yl)phenyl]-9-oxa-15-azahexacyclo[11.11.0.02,10.03,8.014,22.016,21]tetracosa-1(13),2(10),3,5,7,11,14(22),16,18,20,23-undecaene
CID 158535789
3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170135119
1-dibenzothiophen-4-yl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 121323828
3-dibenzofuran-1-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzofuran-2-yl-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-dibenzothiophen-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 158805799
7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223327
1-(4-dibenzofuran-3-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534650
3-carbazol-9-yl-9-(6-dibenzothiophen-4-yldibenzofuran-2-yl)carbazole;9-(6-dibenzofuran-4-yldibenzofuran-2-yl)pyrido[2,3-b]indole;3,6-di(carbazol-9-yl)-9-(6-dibenzofuran-4-yldibenzofuran-2-yl)carbazole
CID 162014946
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 2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole?
The IUPAC name of 2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole (CID 90348701) is 2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole.
What is the SMILES notation for 2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole?
The canonical SMILES for 2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cccc5c4sc4ccccc45)c(-c4cccc5c6ccccc6n(-c6ccc7oc8ccccc8c7c6)c45)cc32)cc1.
What is the InChIKey of 2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole?
The InChIKey is AEGZUAHKAYMKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2OS/c1-2-14-33(15-3-1)55-47-24-8-5-17-36(47)45-31-43(42-23-13-22-41-38-19-7-11-27-52(38)58-54(41)42)44(32-49(45)55)40-21-12-20-39-35-16-4-9-25-48(35)56(53(39)40)34-28-29-51-46(30-34)37-18-6-10-26-50(37)57-51/h1-32H.
What are the key properties of 2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole?
2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole has a molecular weight of 756.93 g/mol, XLogP of 15.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-dibenzofuran-2-ylcarbazol-1-yl)-3-dibenzothiophen-4-yl-9-phenylcarbazole is sourced from PubChem (CID 90348701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).