3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole

C54H34N2O — CID 118565399

IUPAC3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)oc4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc45)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H34N2O/c1-4-12-35(13-5-1)36-23-28-50-47(30-36)48-31-37(24-29-51(48)55(50)41-14-6-2-7-15-41)39-21-26-45-46-27-22-40(34-54(46)57-53(45)33-39)38-20-25-44-43-18-10-11-19-49(43)56(52(44)32-38)42-16-8-3-9-17-42/h1-34H
InChIKeyYCGFQAJXYLZZHS-UHFFFAOYSA-N
MW726.88 g/mol
LogP14.78
Rot. Bonds5

About 3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole

3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole (PubChem CID 118565399) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is 3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
PubChem CID118565399
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC Name3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)oc4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc45)ccc2n3-c2ccccc2)cc1
InChIInChI=1S/C54H34N2O/c1-4-12-35(13-5-1)36-23-28-50-47(30-36)48-31-37(24-29-51(48)55(50)41-14-6-2-7-15-41)39-21-26-45-46-27-22-40(34-54(46)57-53(45)33-39)38-20-25-44-43-18-10-11-19-49(43)56(52(44)32-38)42-16-8-3-9-17-42/h1-34H
InChIKeyYCGFQAJXYLZZHS-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-3-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]carbazole
CID 118565554
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
2-[9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazol-2-yl]-9-phenylcarbazole
CID 170386572
2-(6,9-diphenylcarbazol-3-yl)-6,9-diphenylcarbazole;3,9-diphenyl-6-(9-phenylcarbazol-2-yl)carbazole;9-phenyl-3-(9-phenylcarbazol-2-yl)-6-(4-phenylphenyl)carbazole
CID 161163873
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
3,6-diphenyl-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118084405
6-(4-carbazol-9-ylphenyl)-2,9-diphenylcarbazole
CID 126682018
6-(9-phenylcarbazol-3-yl)-2,9-bis(4-phenylphenyl)carbazole
CID 137400811
2,7-diphenyl-9-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 166037407
2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 166009472
9-[3-carbazol-9-yl-5-(4-dibenzofuran-3-ylphenyl)phenyl]carbazole;9-[4-[3-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazole;9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]carbazole;9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole;9-[4-[4-(4-dibenzofuran-3-ylphenyl)phenyl]phenyl]-3,6-diphenylcarbazole
CID 163688539
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490

Frequently Asked Questions

What is the IUPAC name of 3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole?
The IUPAC name of 3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole (CID 118565399) is 3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole?
The canonical SMILES for 3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)oc4cc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)ccc45)ccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole?
The InChIKey is YCGFQAJXYLZZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-4-12-35(13-5-1)36-23-28-50-47(30-36)48-31-37(24-29-51(48)55(50)41-14-6-2-7-15-41)39-21-26-45-46-27-22-40(34-54(46)57-53(45)33-39)38-20-25-44-43-18-10-11-19-49(43)56(52(44)32-38)42-16-8-3-9-17-42/h1-34H.
What are the key properties of 3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole?
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-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 3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 118565399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).