3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole

C54H34N2O — CID 158968251

IUPAC3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6c(c5)oc5ccccc56)ccc43)cc2)cc1
InChIInChI=1S/C54H34N2O/c1-3-13-35(14-4-1)36-23-27-41(28-24-36)56-49-21-11-7-17-42(49)46-31-37(25-29-50(46)56)39-33-45(54-44-19-9-12-22-52(44)57-53(54)34-39)38-26-30-51-47(32-38)43-18-8-10-20-48(43)55(51)40-15-5-2-6-16-40/h1-34H
InChIKeyXIYAFLIZQDCLHV-UHFFFAOYSA-N
MW726.88 g/mol
LogP14.78
Rot. Bonds5

About 3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole

3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole (PubChem CID 158968251) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is 3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole.

Molecular Properties

Compound Name3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
PubChem CID158968251
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC Name3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6c(c5)oc5ccccc56)ccc43)cc2)cc1
InChIInChI=1S/C54H34N2O/c1-3-13-35(14-4-1)36-23-27-41(28-24-36)56-49-21-11-7-17-42(49)46-31-37(25-29-50(46)56)39-33-45(54-44-19-9-12-22-52(44)57-53(54)34-39)38-26-30-51-47(32-38)43-18-8-10-20-48(43)55(51)40-15-5-2-6-16-40/h1-34H
InChIKeyXIYAFLIZQDCLHV-UHFFFAOYSA-N
XLogP14.78
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.88
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-phenyl-2-[1-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 147550718
9-phenyl-3-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 162775185
2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 172512187
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 167329299
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
3-(9-phenylcarbazol-3-yl)-9-[1-(4-triphenylen-2-ylphenyl)dibenzofuran-3-yl]carbazole
CID 163907956
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenyldibenzofuran-2-yl]-9-phenylcarbazole
CID 129291963
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
2-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167201074
3-[7-(4,6-diphenyl-2-pyridinyl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 163917513
3-[9-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)carbazol-3-yl]-9-phenylcarbazole
CID 163499661
3,9-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-(4-dibenzofuran-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;9-phenyl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 158173584

Frequently Asked Questions

What is the IUPAC name of 3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole?
The IUPAC name of 3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole (CID 158968251) is 3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole.
What is the SMILES notation for 3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole?
The canonical SMILES for 3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)c6c(c5)oc5ccccc56)ccc43)cc2)cc1.
What is the InChIKey of 3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole?
The InChIKey is XIYAFLIZQDCLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-3-13-35(14-4-1)36-23-27-41(28-24-36)56-49-21-11-7-17-42(49)46-31-37(25-29-50(46)56)39-33-45(54-44-19-9-12-22-52(44)57-53(54)34-39)38-26-30-51-47(32-38)43-18-8-10-20-48(43)55(51)40-15-5-2-6-16-40/h1-34H.
What are the key properties of 3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole?
3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole has a molecular weight of 726.88 g/mol, XLogP of 14.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole is sourced from PubChem (CID 158968251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).