9-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-3,6-diphenylcarbazole

C48H29NOS — CID 170278460

IUPAC9-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)sc2cc(-c4cccc5c4oc4ccccc45)ccc23)cc1
InChIInChI=1S/C48H29NOS/c1-3-10-30(11-4-1)32-19-24-43-41(26-32)42-27-33(31-12-5-2-6-13-31)20-25-44(42)49(43)35-21-23-39-38-22-18-34(28-46(38)51-47(39)29-35)36-15-9-16-40-37-14-7-8-17-45(37)50-48(36)40/h1-29H
InChIKeyMNLXAQOKMWDWTP-UHFFFAOYSA-N
MW667.83 g/mol
LogP14.05
Rot. Bonds4

About 9-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-3,6-diphenylcarbazole

9-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-3,6-diphenylcarbazole (PubChem CID 170278460) has the molecular formula C48H29NOS and a molecular weight of 667.83 g/mol. Its IUPAC name is 9-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-3,6-diphenylcarbazole
PubChem CID170278460
Molecular FormulaC48H29NOS
Molecular Weight667.83 g/mol
Exact Mass667.20
IUPAC Name9-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-3,6-diphenylcarbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)sc2cc(-c4cccc5c4oc4ccccc45)ccc23)cc1
InChIInChI=1S/C48H29NOS/c1-3-10-30(11-4-1)32-19-24-43-41(26-32)42-27-33(31-12-5-2-6-13-31)20-25-44(42)49(43)35-21-23-39-38-22-18-34(28-46(38)51-47(39)29-35)36-15-9-16-40-37-14-7-8-17-45(37)50-48(36)40/h1-29H
InChIKeyMNLXAQOKMWDWTP-UHFFFAOYSA-N
XLogP14.05
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.83
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-(8-dibenzofuran-4-yldibenzothiophen-3-yl)-3-triphenylen-2-ylcarbazole
CID 170278507
3-dibenzofuran-4-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;3-dibenzothiophen-1-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;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
CID 164972458
3-dibenzofuran-4-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-1-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-2-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-3-yl-9-phenyl-6-[9-(3-phenylphenyl)carbazol-3-yl]carbazole
CID 164972268
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-dibenzothiophen-2-ylcarbazole
CID 121449399
3-dibenzofuran-3-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzofuran-4-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole;3-dibenzothiophen-1-yl-9-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 163517609
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
9-[7-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]dibenzothiophen-3-yl]carbazole
CID 169010783
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzofuran-4-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-1-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole;3-dibenzothiophen-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 159897890
3,6-di(dibenzofuran-4-yl)-9-[3-(9,10-diphenylanthracen-2-yl)phenyl]carbazole
CID 87156543
9-(6-dibenzofuran-4-yldibenzofuran-2-yl)-3-phenylcarbazole
CID 146532981
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775

Frequently Asked Questions

What is the IUPAC name of 9-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-3,6-diphenylcarbazole?
The IUPAC name of 9-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-3,6-diphenylcarbazole (CID 170278460) is 9-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-3,6-diphenylcarbazole.
What is the SMILES notation for 9-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-3,6-diphenylcarbazole?
The canonical SMILES for 9-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-3,6-diphenylcarbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)sc2cc(-c4cccc5c4oc4ccccc45)ccc23)cc1.
What is the InChIKey of 9-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-3,6-diphenylcarbazole?
The InChIKey is MNLXAQOKMWDWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NOS/c1-3-10-30(11-4-1)32-19-24-43-41(26-32)42-27-33(31-12-5-2-6-13-31)20-25-44(42)49(43)35-21-23-39-38-22-18-34(28-46(38)51-47(39)29-35)36-15-9-16-40-37-14-7-8-17-45(37)50-48(36)40/h1-29H.
What are the key properties of 9-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-3,6-diphenylcarbazole?
9-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-3,6-diphenylcarbazole has a molecular weight of 667.83 g/mol, XLogP of 14.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(7-dibenzofuran-4-yldibenzothiophen-3-yl)-3,6-diphenylcarbazole is sourced from PubChem (CID 170278460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).