9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole

C54H34N2O — CID 170072865

IUPAC9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7ccccc7)cccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)cc2)cc1
InChIInChI=1S/C54H34N2O/c1-3-12-35(13-4-1)36-22-26-40(27-23-36)55-48-19-9-7-16-43(48)45-32-38(24-29-49(45)55)39-25-30-50-47(33-39)54-42(37-14-5-2-6-15-37)18-11-20-51(54)56(50)41-28-31-53-46(34-41)44-17-8-10-21-52(44)57-53/h1-34H
InChIKeyNNMRQIAQSFRTAE-UHFFFAOYSA-N
MW726.88 g/mol
LogP14.78
Rot. Bonds5

About 9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole

9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole (PubChem CID 170072865) has the molecular formula C54H34N2O and a molecular weight of 726.88 g/mol. Its IUPAC name is 9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
PubChem CID170072865
Molecular FormulaC54H34N2O
Molecular Weight726.88 g/mol
Exact Mass726.27
IUPAC Name9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7ccccc7)cccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)cc2)cc1
InChIInChI=1S/C54H34N2O/c1-3-12-35(13-4-1)36-22-26-40(27-23-36)55-48-19-9-7-16-43(48)45-32-38(24-29-49(45)55)39-25-30-50-47(33-39)54-42(37-14-5-2-6-15-37)18-11-20-51(54)56(50)41-28-31-53-46(34-41)44-17-8-10-21-52(44)57-53/h1-34H
InChIKeyNNMRQIAQSFRTAE-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

3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
9-dibenzofuran-2-yl-3-[3-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]phenyl]carbazole
CID 123613126
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
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 167329299
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 90350922
3-(9-dibenzofuran-2-ylcarbazol-3-yl)-6-phenyl-9-(3-phenylphenyl)carbazole
CID 170072680
3-[3-(3-dibenzofuran-2-ylphenyl)carbazol-9-yl]-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 123419299
5,9-diphenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
CID 177113345
3-(9-dibenzofuran-3-ylcarbazol-3-yl)-5-phenyl-9-(2-phenylphenyl)carbazole
CID 170072822
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
3-[3-(3-bromophenyl)-5-(9-phenylcarbazol-4-yl)phenyl]-9-dibenzofuran-2-ylcarbazole
CID 118289106
3-dibenzofuran-2-yl-6-(9-phenylcarbazol-3-yl)-9-(3-phenylphenyl)carbazole
CID 129065119

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The IUPAC name of 9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole (CID 170072865) is 9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole.
What is the SMILES notation for 9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The canonical SMILES for 9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole is c1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5ccc6c(c5)c5c(-c7ccccc7)cccc5n6-c5ccc6oc7ccccc7c6c5)ccc43)cc2)cc1.
What is the InChIKey of 9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
The InChIKey is NNMRQIAQSFRTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N2O/c1-3-12-35(13-4-1)36-22-26-40(27-23-36)55-48-19-9-7-16-43(48)45-32-38(24-29-49(45)55)39-25-30-50-47(33-39)54-42(37-14-5-2-6-15-37)18-11-20-51(54)56(50)41-28-31-53-46(34-41)44-17-8-10-21-52(44)57-53/h1-34H.
What are the key properties of 9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole?
9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-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 9-dibenzofuran-2-yl-5-phenyl-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole is sourced from PubChem (CID 170072865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).