3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole

C48H30N2O — CID 89491924

IUPAC3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C48H30N2O/c1-3-11-31(12-4-1)32-19-23-46-39(27-32)38-16-8-10-18-44(38)50(46)36-22-26-48-42(30-36)41-29-34(21-25-47(41)51-48)33-20-24-45-40(28-33)37-15-7-9-17-43(37)49(45)35-13-5-2-6-14-35/h1-30H
InChIKeyNBELKSABKLXSBR-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

About 3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole

3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole (PubChem CID 89491924) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole.

Molecular Properties

Compound Name3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
PubChem CID89491924
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c3c2)cc1
InChIInChI=1S/C48H30N2O/c1-3-11-31(12-4-1)32-19-23-46-39(27-32)38-16-8-10-18-44(38)50(46)36-22-26-48-42(30-36)41-29-34(21-25-47(41)51-48)33-20-24-45-40(28-33)37-15-7-9-17-43(37)49(45)35-13-5-2-6-14-35/h1-30H
InChIKeyNBELKSABKLXSBR-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

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-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 59348276
3-carbazol-9-yl-6-[8-[3-[8-(6-carbazol-9-yl-9-phenylcarbazol-3-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 148847912
3-[9-[3-(8-carbazol-9-yldibenzofuran-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole
CID 154593068
3-[3-(3-phenylphenyl)phenyl]-9-[3-[8-[3-[4-[3-(3-phenylphenyl)phenyl]phenyl]carbazol-9-yl]dibenzofuran-2-yl]phenyl]carbazole
CID 118505153
3,6-bis(9-dibenzofuran-2-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594554
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
3-phenyl-9-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole
CID 170390017
2,6-diphenyl-9-[8-(3-phenylcarbazol-9-yl)dibenzofuran-2-yl]carbazole
CID 163479066
9-[4-(8-phenyldibenzofuran-2-yl)phenyl]carbazole
CID 58536267

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole?
The IUPAC name of 3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole (CID 89491924) is 3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole.
What is the SMILES notation for 3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole?
The canonical SMILES for 3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2ccc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c3c2)cc1.
What is the InChIKey of 3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole?
The InChIKey is NBELKSABKLXSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-11-31(12-4-1)32-19-23-46-39(27-32)38-16-8-10-18-44(38)50(46)36-22-26-48-42(30-36)41-29-34(21-25-47(41)51-48)33-20-24-45-40(28-33)37-15-7-9-17-43(37)49(45)35-13-5-2-6-14-35/h1-30H.
What are the key properties of 3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole?
3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-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 3-phenyl-9-[8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]carbazole is sourced from PubChem (CID 89491924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).