3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole

C48H30N2O — CID 90321574

IUPAC3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole
SMILESc1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccc6oc7ccccc7c6c5)c4c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H30N2O/c1-3-13-31(14-4-1)40-30-46-41(36-18-8-11-21-44(36)49(46)33-15-5-2-6-16-33)29-39(40)32-23-25-37-35-17-7-10-20-43(35)50(45(37)27-32)34-24-26-48-42(28-34)38-19-9-12-22-47(38)51-48/h1-30H
InChIKeyUKFQJBBAORHBEL-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

About 3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole

3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole (PubChem CID 90321574) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole.

Molecular Properties

Compound Name3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole
PubChem CID90321574
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole
SMILESc1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccc6oc7ccccc7c6c5)c4c2)c2ccccc2n3-c2ccccc2)cc1
InChIInChI=1S/C48H30N2O/c1-3-13-31(14-4-1)40-30-46-41(36-18-8-11-21-44(36)49(46)33-15-5-2-6-16-33)29-39(40)32-23-25-37-35-17-7-10-20-43(35)50(45(37)27-32)34-24-26-48-42(28-34)38-19-9-12-22-47(38)51-48/h1-30H
InChIKeyUKFQJBBAORHBEL-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

2,3-bis(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 90352217
2,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594589
9-dibenzofuran-2-yl-3-phenyl-2-(9-phenylcarbazol-4-yl)carbazole
CID 90321522
9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole
CID 90348740
9-dibenzofuran-2-yl-2-phenyl-3-[9-(6-phenyl-2-pyridinyl)carbazol-2-yl]carbazole
CID 90348742
3-[9-(10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-6-yl)carbazol-2-yl]-9-phenylcarbazole
CID 135171606
8-[3-[9-([1]benzofuro[3,2-b]pyridin-8-yl)carbazol-2-yl]-2-phenylcarbazol-9-yl]-[1]benzofuro[3,2-b]pyridine
CID 90348743
2,9-diphenyl-3-(9-phenylcarbazol-2-yl)carbazole
CID 90321601
4-(9-dibenzofuran-2-ylcarbazol-2-yl)-3,9-diphenylcarbazole
CID 90321713
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
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
3-carbazol-9-yl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;2-dibenzofuran-2-yl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;3-phenyl-9-[9-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazol-3-yl]carbazole
CID 159735182

Frequently Asked Questions

What is the IUPAC name of 3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole?
The IUPAC name of 3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole (CID 90321574) is 3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole.
What is the SMILES notation for 3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole?
The canonical SMILES for 3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole is c1ccc(-c2cc3c(cc2-c2ccc4c5ccccc5n(-c5ccc6oc7ccccc7c6c5)c4c2)c2ccccc2n3-c2ccccc2)cc1.
What is the InChIKey of 3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole?
The InChIKey is UKFQJBBAORHBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-13-31(14-4-1)40-30-46-41(36-18-8-11-21-44(36)49(46)33-15-5-2-6-16-33)29-39(40)32-23-25-37-35-17-7-10-20-43(35)50(45(37)27-32)34-24-26-48-42(28-34)38-19-9-12-22-47(38)51-48/h1-30H.
What are the key properties of 3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole?
3-(9-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole 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-dibenzofuran-2-ylcarbazol-2-yl)-2,9-diphenylcarbazole is sourced from PubChem (CID 90321574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).