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

C48H30N2O — CID 149165800

IUPAC9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c4oc4ccccc45)ccc32)cc1
InChIInChI=1S/C48H30N2O/c1-3-13-33(14-4-1)49-42-20-10-7-17-37(42)40-29-31(23-27-44(40)49)35-25-26-36(48-47(35)39-19-9-12-22-46(39)51-48)32-24-28-45-41(30-32)38-18-8-11-21-43(38)50(45)34-15-5-2-6-16-34/h1-30H
InChIKeyWYBSHYQWADTHCP-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

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

9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole (PubChem CID 149165800) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
PubChem CID149165800
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c4oc4ccccc45)ccc32)cc1
InChIInChI=1S/C48H30N2O/c1-3-13-33(14-4-1)49-42-20-10-7-17-37(42)40-29-31(23-27-44(40)49)35-25-26-36(48-47(35)39-19-9-12-22-46(39)51-48)32-24-28-45-41(30-32)38-18-8-11-21-43(38)50(45)34-15-5-2-6-16-34/h1-30H
InChIKeyWYBSHYQWADTHCP-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

12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[2,3-a]carbazole
CID 134530273
3-(9-phenylcarbazol-3-yl)-9-[1-(4-phenylphenyl)dibenzofuran-4-yl]carbazole
CID 162489014
12-phenyl-6-(9-phenylcarbazol-3-yl)-[1]benzofuro[3,2-a]carbazole
CID 134530399
3,9-diphenyl-5-[9-(1-phenyldibenzofuran-4-yl)carbazol-3-yl]carbazole
CID 146490591
3-(9-phenylcarbazol-2-yl)-9-(4-phenyldibenzofuran-1-yl)carbazole
CID 167200371
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
12-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]-[1]benzofuro[3,2-a]carbazole
CID 134530401
2-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167200305
3-[9-[4-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 169060483
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-11,12-diphenylindolo[2,3-a]carbazole
CID 118507599
3-[9-(1-naphthalen-2-yldibenzofuran-4-yl)carbazol-4-yl]-9-phenylcarbazole
CID 162489011

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole?
The IUPAC name of 9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole (CID 149165800) is 9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c5c4oc4ccccc45)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole?
The InChIKey is WYBSHYQWADTHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-13-33(14-4-1)49-42-20-10-7-17-37(42)40-29-31(23-27-44(40)49)35-25-26-36(48-47(35)39-19-9-12-22-46(39)51-48)32-24-28-45-41(30-32)38-18-8-11-21-43(38)50(45)34-15-5-2-6-16-34/h1-30H.
What are the key properties of 9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole?
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole 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 9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole is sourced from PubChem (CID 149165800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).