3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole

C48H30N2O — CID 126753408

IUPAC3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6-c6ccc7c(c6)oc6ccccc67)c5c4)ccc32)cc1
InChIInChI=1S/C48H30N2O/c1-2-12-34(13-3-1)49-43-19-9-6-16-37(43)41-28-31(24-27-45(41)49)32-22-25-38-36-15-5-10-20-44(36)50(46(38)29-32)42-18-8-4-14-35(42)33-23-26-40-39-17-7-11-21-47(39)51-48(40)30-33/h1-30H
InChIKeyRTJHNFVTVBFYGW-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

About 3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole

3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole (PubChem CID 126753408) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
PubChem CID126753408
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6-c6ccc7c(c6)oc6ccccc67)c5c4)ccc32)cc1
InChIInChI=1S/C48H30N2O/c1-2-12-34(13-3-1)49-43-19-9-6-16-37(43)41-28-31(24-27-45(41)49)32-22-25-38-36-15-5-10-20-44(36)50(46(38)29-32)42-18-8-4-14-35(42)33-23-26-40-39-17-7-11-21-47(39)51-48(40)30-33/h1-30H
InChIKeyRTJHNFVTVBFYGW-UHFFFAOYSA-N
XLogP13.11
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166509813
3-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 126753266
3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-phenylcarbazole
CID 70658931
3,9-diphenyl-6-[7-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 118565399
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
6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenyl-2-[9-[9-[7-[9-[9-(9-phenylcarbazol-4-yl)carbazol-3-yl]carbazol-3-yl]dibenzofuran-2-yl]carbazol-3-yl]carbazol-4-yl]carbazole
CID 167259999
3-dibenzofuran-4-yl-9-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647
3-[9-(6-dibenzofuran-1-ylnaphthalen-1-yl)carbazol-2-yl]-9-phenylcarbazole
CID 118534204
3,6-bis(9-dibenzofuran-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594553
3-(2-dibenzofuran-2-ylphenyl)-9-phenylcarbazole
CID 139423478

Frequently Asked Questions

What is the IUPAC name of 3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole (CID 126753408) is 3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c6ccccc6n(-c6ccccc6-c6ccc7c(c6)oc6ccccc67)c5c4)ccc32)cc1.
What is the InChIKey of 3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is RTJHNFVTVBFYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-2-12-34(13-3-1)49-43-19-9-6-16-37(43)41-28-31(24-27-45(41)49)32-22-25-38-36-15-5-10-20-44(36)50(46(38)29-32)42-18-8-4-14-35(42)33-23-26-40-39-17-7-11-21-47(39)51-48(40)30-33/h1-30H.
What are the key properties of 3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole?
3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 650.78 g/mol, XLogP of 13.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 126753408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).