11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole

C47H28N2OS — CID 118154269

IUPAC11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C47H28N2OS/c1-2-11-29(12-3-1)30-21-23-31(24-22-30)40-25-32(26-41(48-40)37-17-10-16-36-35-15-6-9-20-46(35)51-47(36)37)49-42-18-7-4-13-33(42)38-28-45-39(27-43(38)49)34-14-5-8-19-44(34)50-45/h1-28H
InChIKeyQXUXWZBFANSQQV-UHFFFAOYSA-N
MW668.82 g/mol
LogP13.45
Rot. Bonds4

About 11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole

11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole (PubChem CID 118154269) has the molecular formula C47H28N2OS and a molecular weight of 668.82 g/mol. Its IUPAC name is 11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole.

Molecular Properties

Compound Name11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole
PubChem CID118154269
Molecular FormulaC47H28N2OS
Molecular Weight668.82 g/mol
Exact Mass668.19
IUPAC Name11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C47H28N2OS/c1-2-11-29(12-3-1)30-21-23-31(24-22-30)40-25-32(26-41(48-40)37-17-10-16-36-35-15-6-9-20-46(35)51-47(36)37)49-42-18-7-4-13-33(42)38-28-45-39(27-43(38)49)34-14-5-8-19-44(34)50-45/h1-28H
InChIKeyQXUXWZBFANSQQV-UHFFFAOYSA-N
XLogP13.45
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.82
LogP ≤ 513.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 118154247
11-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 118154031
11-[2-dibenzothiophen-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-b]carbazole
CID 118154364
3-dibenzothiophen-4-yl-9-(2,6-diphenyl-4-pyridinyl)carbazole
CID 155793691
11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 129225740
5-[2-dibenzofuran-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzothiolo[3,2-c]carbazole
CID 118154029
5-(4-dibenzothiophen-4-ylphenyl)-11-(4,6-diphenylpyrimidin-2-yl)indolo[3,2-b]carbazole
CID 130417437
9-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)pyrimidin-2-yl]carbazole
CID 118154242
11-(4-dibenzofuran-2-ylphenyl)-4-phenyl-[1]benzothiolo[3,2-b]carbazole
CID 90050891
9-[8-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953128
3-(4-dibenzofuran-2-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170135119
7-(4-dibenzothiophen-4-ylphenyl)-10-(7-phenyl-[1]benzofuro[2,3-b]carbazol-10-yl)-[1]benzofuro[2,3-b]carbazole
CID 134223327

Frequently Asked Questions

What is the IUPAC name of 11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole?
The IUPAC name of 11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole (CID 118154269) is 11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole.
What is the SMILES notation for 11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole?
The canonical SMILES for 11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole is c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5cc6oc7ccccc7c6cc54)cc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole?
The InChIKey is QXUXWZBFANSQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H28N2OS/c1-2-11-29(12-3-1)30-21-23-31(24-22-30)40-25-32(26-41(48-40)37-17-10-16-36-35-15-6-9-20-46(35)51-47(36)37)49-42-18-7-4-13-33(42)38-28-45-39(27-43(38)49)34-14-5-8-19-44(34)50-45/h1-28H.
What are the key properties of 11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole?
11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole has a molecular weight of 668.82 g/mol, XLogP of 13.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[2-dibenzothiophen-4-yl-6-(4-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-b]carbazole is sourced from PubChem (CID 118154269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).