6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole

C48H30N2O — CID 170072505

IUPAC6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)ccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C48H30N2O/c1-3-12-31(13-4-1)34-22-25-37-41-29-32(23-26-43(41)49(46(37)30-34)35-14-5-2-6-15-35)33-24-27-44-40(28-33)36-16-7-9-19-42(36)50(44)45-20-11-18-39-38-17-8-10-21-47(38)51-48(39)45/h1-30H
InChIKeyMQTMCPJWRQLAFY-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

About 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole

6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole (PubChem CID 170072505) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole.

Molecular Properties

Compound Name6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
PubChem CID170072505
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole
SMILESc1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)ccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C48H30N2O/c1-3-12-31(13-4-1)34-22-25-37-41-29-32(23-26-43(41)49(46(37)30-34)35-14-5-2-6-15-35)33-24-27-44-40(28-33)36-16-7-9-19-42(36)50(44)45-20-11-18-39-38-17-8-10-21-47(38)51-48(39)45/h1-30H
InChIKeyMQTMCPJWRQLAFY-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-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167200544
2-[9-(2-phenyldibenzofuran-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167201110
9-dibenzofuran-4-yl-3-triphenylen-2-ylcarbazole;3-(9-phenylcarbazol-2-yl)-9-triphenylen-2-ylcarbazole;9-phenyl-3-(3-triphenylen-2-ylcarbazol-9-yl)carbazole;3-phenyl-9-(3-triphenylen-2-ylphenyl)carbazole;pentakis(prop-1-ene);9-(3-triphenylen-2-ylphenyl)carbazole
CID 159796899
9-dibenzofuran-4-yl-3-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 90321642
2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594574
3-(9-dibenzofuran-4-ylcarbazol-3-yl)-9-(8-phenyldibenzofuran-2-yl)carbazole
CID 123500568
9-dibenzofuran-4-yl-2-phenyl-3-[9-(9-phenylcarbazol-3-yl)carbazol-2-yl]carbazole
CID 90348740
3-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(3,5-diphenylphenyl)carbazole;3-(9-dibenzofuran-2-ylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzofuran-3-ylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole;3-(9-dibenzofuran-4-ylcarbazol-2-yl)-9-(3-phenylphenyl)carbazole
CID 167701543
9-(8-dibenzofuran-3-yldibenzofuran-4-yl)-3-phenylcarbazole
CID 147201109
9-dibenzofuran-2-yl-3-[3-(3-phenylphenyl)phenyl]carbazole;3,6-diphenyl-9-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-4-yl]carbazole;3-[3-(3-phenylphenyl)phenyl]-9-[8-[3-[3-(3-phenylphenyl)phenyl]carbazol-9-yl]dibenzofuran-2-yl]carbazole
CID 158273380
3-(9-dibenzofuran-2-yl-6-methylcarbazol-2-yl)-6-methyl-9-phenylcarbazole;3-(9-dibenzofuran-3-yl-6-methylcarbazol-2-yl)-6-methyl-9-phenylcarbazole;3-(9-dibenzofuran-4-yl-6-methylcarbazol-2-yl)-6-methyl-9-phenylcarbazole;3-(9-dibenzofuran-2-yl-6-phenylcarbazol-2-yl)-6,9-diphenylcarbazole;3-(9-dibenzofuran-3-yl-6-phenylcarbazol-2-yl)-6,9-diphenylcarbazole;3-(9-dibenzofuran-4-yl-6-phenylcarbazol-2-yl)-6,9-diphenylcarbazole
CID 159023414
9-dibenzofuran-1-yl-2-phenyl-6-[3-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 90310026

Frequently Asked Questions

What is the IUPAC name of 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole?
The IUPAC name of 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole (CID 170072505) is 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole.
What is the SMILES notation for 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole?
The canonical SMILES for 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole is c1ccc(-c2ccc3c4cc(-c5ccc6c(c5)c5ccccc5n6-c5cccc6c5oc5ccccc56)ccc4n(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole?
The InChIKey is MQTMCPJWRQLAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-12-31(13-4-1)34-22-25-37-41-29-32(23-26-43(41)49(46(37)30-34)35-14-5-2-6-15-35)33-24-27-44-40(28-33)36-16-7-9-19-42(36)50(44)45-20-11-18-39-38-17-8-10-21-47(38)51-48(39)45/h1-30H.
What are the key properties of 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole?
6-(9-dibenzofuran-4-ylcarbazol-3-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 6-(9-dibenzofuran-4-ylcarbazol-3-yl)-2,9-diphenylcarbazole is sourced from PubChem (CID 170072505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).