3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole

C58H36N4O — CID 123136164

IUPAC3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)oc2cc(-n4c5ccccc5c5cc(-c6ccccc6-c6ccccn6)ccc54)ccc23)nc1
InChIInChI=1S/C58H36N4O/c1-3-15-43(51-19-9-11-31-59-51)41(13-1)37-23-29-55-49(33-37)45-17-5-7-21-53(45)61(55)39-25-27-47-48-28-26-40(36-58(48)63-57(47)35-39)62-54-22-8-6-18-46(54)50-34-38(24-30-56(50)62)42-14-2-4-16-44(42)52-20-10-12-32-60-52/h1-36H
InChIKeyPUMCTWGMBORTOH-UHFFFAOYSA-N
MW804.95 g/mol
LogP15.24
Rot. Bonds6

About 3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole

3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole (PubChem CID 123136164) has the molecular formula C58H36N4O and a molecular weight of 804.95 g/mol. Its IUPAC name is 3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole
PubChem CID123136164
Molecular FormulaC58H36N4O
Molecular Weight804.95 g/mol
Exact Mass804.29
IUPAC Name3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)oc2cc(-n4c5ccccc5c5cc(-c6ccccc6-c6ccccn6)ccc54)ccc23)nc1
InChIInChI=1S/C58H36N4O/c1-3-15-43(51-19-9-11-31-59-51)41(13-1)37-23-29-55-49(33-37)45-17-5-7-21-53(45)61(55)39-25-27-47-48-28-26-40(36-58(48)63-57(47)35-39)62-54-22-8-6-18-46(54)50-34-38(24-30-56(50)62)42-14-2-4-16-44(42)52-20-10-12-32-60-52/h1-36H
InChIKeyPUMCTWGMBORTOH-UHFFFAOYSA-N
XLogP15.24
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.95
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(7,8-dipyridin-2-yldibenzofuran-2-yl)-3,6-bis(2-pyridin-2-ylphenyl)carbazole;methanamine;pyridine
CID 144536431
5-(9-methylcarbazol-3-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
CID 58370085
3-(4-ethenylphenyl)-9-[8-[3-(4-ethenylphenyl)-6-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-2-yl]-6-(2-pyridin-2-ylphenyl)carbazole
CID 88853124
3-carbazol-9-yl-9-(7-carbazol-9-yldibenzofuran-3-yl)carbazole
CID 123285372
3-(4-carbazol-9-yl-2-dibenzofuran-2-yl-5-pyridin-2-ylphenyl)-9-phenylcarbazole
CID 71278022
5-(8-iododibenzofuran-2-yl)-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole
CID 67094853
3-dibenzofuran-2-yl-9-dibenzofuran-3-ylcarbazole
CID 118504725
9-[7-[7-[7-(7-carbazol-9-yldibenzofuran-3-yl)dibenzofuran-3-yl]dibenzofuran-3-yl]dibenzofuran-3-yl]carbazole
CID 90207091
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
9-[8-(3-isocyanocarbazol-9-yl)dibenzofuran-2-yl]carbazole-3-carbonitrile;3-(2-pyridin-2-ylphenyl)-9-[3-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]carbazole
CID 159338990
3-carbazol-9-yl-9-(3-carbazol-9-yl-5-pyridin-2-ylphenyl)carbazole
CID 155770026
5-[3-[3,6-bis(2-pyridin-2-ylphenyl)carbazol-9-yl]phenyl]-8-(2-pyridin-2-ylphenyl)pyrido[3,2-b]indole;ethene
CID 144612501

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole?
The IUPAC name of 3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole (CID 123136164) is 3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole?
The canonical SMILES for 3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole is c1ccc(-c2ccccc2-c2ccc3c(c2)c2ccccc2n3-c2ccc3c(c2)oc2cc(-n4c5ccccc5c5cc(-c6ccccc6-c6ccccn6)ccc54)ccc23)nc1.
What is the InChIKey of 3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole?
The InChIKey is PUMCTWGMBORTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N4O/c1-3-15-43(51-19-9-11-31-59-51)41(13-1)37-23-29-55-49(33-37)45-17-5-7-21-53(45)61(55)39-25-27-47-48-28-26-40(36-58(48)63-57(47)35-39)62-54-22-8-6-18-46(54)50-34-38(24-30-56(50)62)42-14-2-4-16-44(42)52-20-10-12-32-60-52/h1-36H.
What are the key properties of 3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole?
3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole has a molecular weight of 804.95 g/mol, XLogP of 15.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-2-ylphenyl)-9-[7-[3-(2-pyridin-2-ylphenyl)carbazol-9-yl]dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 123136164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).