9-(4-dibenzofuran-3-ylphenyl)-3,6-di(quinolin-3-yl)carbazole

C48H29N3O — CID 171851975

IUPAC9-(4-dibenzofuran-3-ylphenyl)-3,6-di(quinolin-3-yl)carbazole
SMILESc1ccc2ncc(-c3ccc4c(c3)c3cc(-c5cnc6ccccc6c5)ccc3n4-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc2c1
InChIInChI=1S/C48H29N3O/c1-4-10-43-34(7-1)23-36(28-49-43)31-16-21-45-41(25-31)42-26-32(37-24-35-8-2-5-11-44(35)50-29-37)17-22-46(42)51(45)38-18-13-30(14-19-38)33-15-20-40-39-9-3-6-12-47(39)52-48(40)27-33/h1-29H
InChIKeyZIPNMENGMGJMHJ-UHFFFAOYSA-N
MW663.78 g/mol
LogP12.78
Rot. Bonds4

About 9-(4-dibenzofuran-3-ylphenyl)-3,6-di(quinolin-3-yl)carbazole

9-(4-dibenzofuran-3-ylphenyl)-3,6-di(quinolin-3-yl)carbazole (PubChem CID 171851975) has the molecular formula C48H29N3O and a molecular weight of 663.78 g/mol. Its IUPAC name is 9-(4-dibenzofuran-3-ylphenyl)-3,6-di(quinolin-3-yl)carbazole.

Molecular Properties

Compound Name9-(4-dibenzofuran-3-ylphenyl)-3,6-di(quinolin-3-yl)carbazole
PubChem CID171851975
Molecular FormulaC48H29N3O
Molecular Weight663.78 g/mol
Exact Mass663.23
IUPAC Name9-(4-dibenzofuran-3-ylphenyl)-3,6-di(quinolin-3-yl)carbazole
SMILESc1ccc2ncc(-c3ccc4c(c3)c3cc(-c5cnc6ccccc6c5)ccc3n4-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc2c1
InChIInChI=1S/C48H29N3O/c1-4-10-43-34(7-1)23-36(28-49-43)31-16-21-45-41(25-31)42-26-32(37-24-35-8-2-5-11-44(35)50-29-37)17-22-46(42)51(45)38-18-13-30(14-19-38)33-15-20-40-39-9-3-6-12-47(39)52-48(40)27-33/h1-29H
InChIKeyZIPNMENGMGJMHJ-UHFFFAOYSA-N
XLogP12.78
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.78
LogP ≤ 512.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3,6-di(quinolin-3-yl)carbazol-9-yl]phenyl]-1,3-benzoxazole
CID 171851966
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
9-[4-[2,4-bis[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]quinazolin-6-yl]phenyl]-3-dibenzofuran-3-ylcarbazole
CID 126631950
2-dibenzofuran-3-yl-9-[4-[4-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-[4-(2-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126631913
3-dibenzofuran-3-yl-9-[3-[4-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-6-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 126631973
3-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-6,9-diphenylcarbazole
CID 166009395
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
5-dibenzofuran-3-yl-2-(6,9-diphenylcarbazol-3-yl)benzo[b]carbazole
CID 167243403
1,2,3,4-tetradeuterio-9-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-6-(4-phenylphenyl)carbazole
CID 177275264
3-dibenzofuran-3-yl-9-[3-[6-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-2-[4-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]phenyl]pyrimidin-4-yl]phenyl]carbazole;3-dibenzofuran-3-yl-9-[3-[6-[3-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]-2-[4-(3-dibenzofuran-3-ylcarbazol-9-yl)phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 158922276
N-(4-dibenzofuran-3-ylphenyl)-N-phenyl-4-[9-(4-phenylphenyl)carbazol-3-yl]aniline
CID 90376825
3-[7-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 158642418

Frequently Asked Questions

What is the IUPAC name of 9-(4-dibenzofuran-3-ylphenyl)-3,6-di(quinolin-3-yl)carbazole?
The IUPAC name of 9-(4-dibenzofuran-3-ylphenyl)-3,6-di(quinolin-3-yl)carbazole (CID 171851975) is 9-(4-dibenzofuran-3-ylphenyl)-3,6-di(quinolin-3-yl)carbazole.
What is the SMILES notation for 9-(4-dibenzofuran-3-ylphenyl)-3,6-di(quinolin-3-yl)carbazole?
The canonical SMILES for 9-(4-dibenzofuran-3-ylphenyl)-3,6-di(quinolin-3-yl)carbazole is c1ccc2ncc(-c3ccc4c(c3)c3cc(-c5cnc6ccccc6c5)ccc3n4-c3ccc(-c4ccc5c(c4)oc4ccccc45)cc3)cc2c1.
What is the InChIKey of 9-(4-dibenzofuran-3-ylphenyl)-3,6-di(quinolin-3-yl)carbazole?
The InChIKey is ZIPNMENGMGJMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3O/c1-4-10-43-34(7-1)23-36(28-49-43)31-16-21-45-41(25-31)42-26-32(37-24-35-8-2-5-11-44(35)50-29-37)17-22-46(42)51(45)38-18-13-30(14-19-38)33-15-20-40-39-9-3-6-12-47(39)52-48(40)27-33/h1-29H.
What are the key properties of 9-(4-dibenzofuran-3-ylphenyl)-3,6-di(quinolin-3-yl)carbazole?
9-(4-dibenzofuran-3-ylphenyl)-3,6-di(quinolin-3-yl)carbazole has a molecular weight of 663.78 g/mol, XLogP of 12.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-dibenzofuran-3-ylphenyl)-3,6-di(quinolin-3-yl)carbazole is sourced from PubChem (CID 171851975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).