3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole

C51H32N2O — CID 146334035

IUPAC3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)oc2cccc(-c4cc(-c5ccccc5)c5ccccc5n4)c23)cc1
InChIInChI=1S/C51H32N2O/c1-4-13-33(14-5-1)36-23-27-47-43(29-36)44-30-37(34-15-6-2-7-16-34)24-28-48(44)53(47)38-25-26-41-50(31-38)54-49-22-12-20-40(51(41)49)46-32-42(35-17-8-3-9-18-35)39-19-10-11-21-45(39)52-46/h1-32H
InChIKeyVBKWRWHOIZQAJJ-UHFFFAOYSA-N
MW688.83 g/mol
LogP13.90
Rot. Bonds5

About 3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole

3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole (PubChem CID 146334035) has the molecular formula C51H32N2O and a molecular weight of 688.83 g/mol. Its IUPAC name is 3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
PubChem CID146334035
Molecular FormulaC51H32N2O
Molecular Weight688.83 g/mol
Exact Mass688.25
IUPAC Name3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)oc2cccc(-c4cc(-c5ccccc5)c5ccccc5n4)c23)cc1
InChIInChI=1S/C51H32N2O/c1-4-13-33(14-5-1)36-23-27-47-43(29-36)44-30-37(34-15-6-2-7-16-34)24-28-48(44)53(47)38-25-26-41-50(31-38)54-49-22-12-20-40(51(41)49)46-32-42(35-17-8-3-9-18-35)39-19-10-11-21-45(39)52-46/h1-32H
InChIKeyVBKWRWHOIZQAJJ-UHFFFAOYSA-N
XLogP13.90
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500688.83
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole;4-phenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
CID 158601298
9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole
CID 146334011
2,7-diphenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-3-yl]carbazole
CID 158600423
9-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-2-phenylcarbazole;9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-3-phenylcarbazole
CID 157148440
9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]carbazole;9-[9-(2,6-diphenylpyrimidin-4-yl)dibenzofuran-3-yl]-2-phenylcarbazole;12-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]-[1]benzofuro[2,3-a]carbazole
CID 162097634
3-[9-[9-(4,6-diphenylpyrimidin-2-yl)dibenzofuran-3-yl]carbazol-3-yl]-9-phenylcarbazole
CID 146334319
3-[9-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 168768203
3-[9-(4-dibenzofuran-3-yl-6-phenyl-2-pyridinyl)dibenzofuran-2-yl]-9-(3-phenylphenyl)carbazole
CID 168768511
2,6-diphenyl-9-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146334196
9-[9-(4,6-diphenyl-2-pyridinyl)dibenzofuran-3-yl]-1,3-diphenylcarbazole
CID 174169267
2-phenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole
CID 146337803
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 167329299

Frequently Asked Questions

What is the IUPAC name of 3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole?
The IUPAC name of 3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole (CID 146334035) is 3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole?
The canonical SMILES for 3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2ccc3c(c2)oc2cccc(-c4cc(-c5ccccc5)c5ccccc5n4)c23)cc1.
What is the InChIKey of 3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole?
The InChIKey is VBKWRWHOIZQAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N2O/c1-4-13-33(14-5-1)36-23-27-47-43(29-36)44-30-37(34-15-6-2-7-16-34)24-28-48(44)53(47)38-25-26-41-50(31-38)54-49-22-12-20-40(51(41)49)46-32-42(35-17-8-3-9-18-35)39-19-10-11-21-45(39)52-46/h1-32H.
What are the key properties of 3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole?
3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole has a molecular weight of 688.83 g/mol, XLogP of 13.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diphenyl-9-[9-(4-phenylquinolin-2-yl)dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 146334035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).