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

C54H34N2O — CID 167200557

IUPAC4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)c4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H34N2O/c1-3-15-35(16-4-1)36-29-31-37(32-30-36)38-33-49(54-44-21-9-12-28-50(44)57-51(54)34-38)56-46-25-11-8-20-43(46)53-41(23-14-27-48(53)56)40-22-13-26-47-52(40)42-19-7-10-24-45(42)55(47)39-17-5-2-6-18-39/h1-34H
InChIKeyYLHYJZRITHCDOV-UHFFFAOYSA-N
MW726.88 g/mol
LogP14.78
Rot. Bonds5

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

4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole (PubChem CID 167200557) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is 4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole.

Molecular Properties

Compound Name4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
PubChem CID167200557
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC Name4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)c4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H34N2O/c1-3-15-35(16-4-1)36-29-31-37(32-30-36)38-33-49(54-44-21-9-12-28-50(44)57-51(54)34-38)56-46-25-11-8-20-43(46)53-41(23-14-27-48(53)56)40-22-13-26-47-52(40)42-19-7-10-24-45(42)55(47)39-17-5-2-6-18-39/h1-34H
InChIKeyYLHYJZRITHCDOV-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

2-(9-phenylcarbazol-2-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167201074
9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole
CID 153075401
4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167201246
4,9-di(dibenzofuran-1-yl)-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 178110232
5-[3-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347698
2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 172512187
2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167201075
4-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166510148
4-[9-[2-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 174273198
9-dibenzofuran-1-yl-14-(3,5-diphenylphenyl)-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 171414752
4-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166509813
5-[3-[4-(9-phenylcarbazol-4-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 167347971

Frequently Asked Questions

What is the IUPAC name of 4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole?
The IUPAC name of 4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole (CID 167200557) is 4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole.
What is the SMILES notation for 4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole?
The canonical SMILES for 4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole is c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)c4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of 4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole?
The InChIKey is YLHYJZRITHCDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-3-15-35(16-4-1)36-29-31-37(32-30-36)38-33-49(54-44-21-9-12-28-50(44)57-51(54)34-38)56-46-25-11-8-20-43(46)53-41(23-14-27-48(53)56)40-22-13-26-47-52(40)42-19-7-10-24-45(42)55(47)39-17-5-2-6-18-39/h1-34H.
What are the key properties of 4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole?
4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]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 4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 167200557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).