2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole

C54H34N2O — CID 167201075

IUPAC2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole
SMILESc1ccc(-c2ccccc2-c2cc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)c3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C54H34N2O/c1-3-15-35(16-4-1)40-19-7-8-20-41(40)38-33-51(54-46-23-11-14-26-52(46)57-53(54)34-38)56-48-25-13-10-22-43(48)45-30-28-37(32-50(45)56)36-27-29-44-42-21-9-12-24-47(42)55(49(44)31-36)39-17-5-2-6-18-39/h1-34H
InChIKeyONHMMUCDKHDFKU-UHFFFAOYSA-N
MW726.88 g/mol
LogP14.78
Rot. Bonds5

About 2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole

2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole (PubChem CID 167201075) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole.

Molecular Properties

Compound Name2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole
PubChem CID167201075
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC Name2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole
SMILESc1ccc(-c2ccccc2-c2cc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)c3c(c2)oc2ccccc23)cc1
InChIInChI=1S/C54H34N2O/c1-3-15-35(16-4-1)40-19-7-8-20-41(40)38-33-51(54-46-23-11-14-26-52(46)57-53(54)34-38)56-48-25-13-10-22-43(48)45-30-28-37(32-50(45)56)36-27-29-44-42-21-9-12-24-47(42)55(49(44)31-36)39-17-5-2-6-18-39/h1-34H
InChIKeyONHMMUCDKHDFKU-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
2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 172512187
9-phenyl-2-[1-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 147550718
9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 90310026
4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167200557
3-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753266
3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753408
3-(9-phenylcarbazol-2-yl)-9-(4-phenyldibenzofuran-1-yl)carbazole
CID 167200371
3-[9-(3-dibenzofuran-1-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 126753308
2-[4-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole
CID 165375370
2-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342513
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167200305

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole?
The IUPAC name of 2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole (CID 167201075) is 2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole.
What is the SMILES notation for 2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole?
The canonical SMILES for 2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole is c1ccc(-c2ccccc2-c2cc(-n3c4ccccc4c4ccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)cc43)c3c(c2)oc2ccccc23)cc1.
What is the InChIKey of 2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole?
The InChIKey is ONHMMUCDKHDFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-3-15-35(16-4-1)40-19-7-8-20-41(40)38-33-51(54-46-23-11-14-26-52(46)57-53(54)34-38)56-48-25-13-10-22-43(48)45-30-28-37(32-50(45)56)36-27-29-44-42-21-9-12-24-47(42)55(49(44)31-36)39-17-5-2-6-18-39/h1-34H.
What are the key properties of 2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole?
2-(9-phenylcarbazol-2-yl)-9-[3-(2-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 2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 167201075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).