2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole

C54H34N2O — CID 172512187

IUPAC2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H34N2O/c1-3-13-35(14-4-1)36-23-25-37(26-24-36)40-33-51(54-45-19-9-12-22-52(45)57-53(54)34-40)56-48-21-11-7-17-42(48)44-29-27-39(32-50(44)56)38-28-30-49-46(31-38)43-18-8-10-20-47(43)55(49)41-15-5-2-6-16-41/h1-34H
InChIKeyRKFHIGVFIGFMBJ-UHFFFAOYSA-N
MW726.88 g/mol
LogP14.78
Rot. Bonds5

About 2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole

2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole (PubChem CID 172512187) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole.

Molecular Properties

Compound Name2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
PubChem CID172512187
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC Name2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c4c(c3)oc3ccccc34)cc2)cc1
InChIInChI=1S/C54H34N2O/c1-3-13-35(14-4-1)36-23-25-37(26-24-36)40-33-51(54-45-19-9-12-22-52(45)57-53(54)34-40)56-48-21-11-7-17-42(48)44-29-27-39(32-50(44)56)38-28-30-49-46(31-38)43-18-8-10-20-47(43)55(49)41-15-5-2-6-16-41/h1-34H
InChIKeyRKFHIGVFIGFMBJ-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-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 90310026
3-(9-phenylcarbazol-3-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
CID 168850152
2-(9-phenylcarbazol-2-yl)-9-[3-(2-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167201075
3-carbazol-9-yl-9-(3-phenyldibenzofuran-1-yl)carbazole
CID 170386086
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 118565399
3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
CID 158968251
2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167200544
3-(9-phenylcarbazol-3-yl)-9-(8-phenyldibenzofuran-1-yl)carbazole
CID 164821289
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167200305
9-phenyl-2-[1-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 147550718

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole?
The IUPAC name of 2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole (CID 172512187) is 2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole.
What is the SMILES notation for 2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole?
The canonical SMILES for 2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole is c1ccc(-c2ccc(-c3cc(-n4c5ccccc5c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc54)c4c(c3)oc3ccccc34)cc2)cc1.
What is the InChIKey of 2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole?
The InChIKey is RKFHIGVFIGFMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-3-13-35(14-4-1)36-23-25-37(26-24-36)40-33-51(54-45-19-9-12-22-52(45)57-53(54)34-40)56-48-21-11-7-17-42(48)44-29-27-39(32-50(44)56)38-28-30-49-46(31-38)43-18-8-10-20-47(43)55(49)41-15-5-2-6-16-41/h1-34H.
What are the key properties of 2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole?
2-(9-phenylcarbazol-3-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 2-(9-phenylcarbazol-3-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole is sourced from PubChem (CID 172512187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).