4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole

C47H30N2O — CID 118154043

IUPAC4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C47H30N2O/c1-3-13-31(14-4-1)32-25-27-33(28-26-32)34-29-41(48-42(30-34)39-21-11-19-37-36-17-8-10-24-45(36)50-47(37)39)38-20-12-23-44-46(38)40-18-7-9-22-43(40)49(44)35-15-5-2-6-16-35/h1-30H
InChIKeyLSQJGMOHLIZJPP-UHFFFAOYSA-N
MW638.77 g/mol
LogP12.75
Rot. Bonds5

About 4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole

4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole (PubChem CID 118154043) has the molecular formula C47H30N2O and a molecular weight of 638.77 g/mol. Its IUPAC name is 4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
PubChem CID118154043
Molecular FormulaC47H30N2O
Molecular Weight638.77 g/mol
Exact Mass638.24
IUPAC Name4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
SMILESc1ccc(-c2ccc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)cc2)cc1
InChIInChI=1S/C47H30N2O/c1-3-13-31(14-4-1)32-25-27-33(28-26-32)34-29-41(48-42(30-34)39-21-11-19-37-36-17-8-10-24-45(36)50-47(37)39)38-20-12-23-44-46(38)40-18-7-9-22-43(40)49(44)35-15-5-2-6-16-35/h1-30H
InChIKeyLSQJGMOHLIZJPP-UHFFFAOYSA-N
XLogP12.75
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.77
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(2-dibenzofuran-4-yl-6-phenyl-4-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118154439
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-[1]benzofuro[3,2-c]carbazole
CID 118154108
5-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 118502718
11-(4-dibenzofuran-4-yl-6-phenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 146543268
4-dibenzofuran-4-yl-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenylcarbazole
CID 171437968
9-(4-dibenzofuran-4-ylphenyl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580156
9-(4-dibenzofuran-4-ylphenyl)-14-[4-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 126580159
5-[2-dibenzofuran-4-yl-6-(3-phenylphenyl)-4-pyridinyl]-12-phenylindolo[3,2-c]carbazole
CID 118154104
9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-[4-dibenzofuran-4-yl-6-(3-phenylphenyl)pyrimidin-2-yl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 158667209
9-(4-phenyldibenzofuran-2-yl)-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]carbazole
CID 139556028
3-dibenzofuran-3-yl-11-(4,6-diphenyl-2-pyridinyl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;3-dibenzofuran-3-yl-11-(2,6-diphenylpyrimidin-4-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;3-dibenzofuran-4-yl-11-(4,6-diphenylpyrimidin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 159169194
4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole
CID 166509837

Frequently Asked Questions

What is the IUPAC name of 4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole?
The IUPAC name of 4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole (CID 118154043) is 4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole.
What is the SMILES notation for 4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole?
The canonical SMILES for 4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole is c1ccc(-c2ccc(-c3cc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)cc2)cc1.
What is the InChIKey of 4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole?
The InChIKey is LSQJGMOHLIZJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H30N2O/c1-3-13-31(14-4-1)32-25-27-33(28-26-32)34-29-41(48-42(30-34)39-21-11-19-37-36-17-8-10-24-45(36)50-47(37)39)38-20-12-23-44-46(38)40-18-7-9-22-43(40)49(44)35-15-5-2-6-16-35/h1-30H.
What are the key properties of 4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole?
4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole has a molecular weight of 638.77 g/mol, XLogP of 12.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole is sourced from PubChem (CID 118154043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).