3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole

C52H32N2O — CID 155305912

IUPAC3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)c1
InChIInChI=1S/C52H32N2O/c1-2-12-34-29-39(26-23-33(34)11-1)54-48-21-7-4-16-42(48)46-32-36(25-28-50(46)54)35-24-27-49-45(31-35)41-15-3-6-20-47(41)53(49)38-14-9-13-37(30-38)40-18-10-19-44-43-17-5-8-22-51(43)55-52(40)44/h1-32H
InChIKeyBSJXIANRBVGRCL-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.27
Rot. Bonds4

About 3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole

3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole (PubChem CID 155305912) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is 3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole.

Molecular Properties

Compound Name3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
PubChem CID155305912
Molecular FormulaC52H32N2O
Molecular Weight700.84 g/mol
Exact Mass700.25
IUPAC Name3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)c1
InChIInChI=1S/C52H32N2O/c1-2-12-34-29-39(26-23-33(34)11-1)54-48-21-7-4-16-42(48)46-32-36(25-28-50(46)54)35-24-27-49-45(31-35)41-15-3-6-20-47(41)53(49)38-14-9-13-37(30-38)40-18-10-19-44-43-17-5-8-22-51(43)55-52(40)44/h1-32H
InChIKeyBSJXIANRBVGRCL-UHFFFAOYSA-N
XLogP14.27
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.84
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-2-ylphenyl)carbazole
CID 142356877
5-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-3,11-diphenylindolo[3,2-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-11-naphthalen-2-ylindolo[3,2-b]carbazole
CID 159976213
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-dibenzofuran-4-yl-9-[3-(1-naphthalen-2-ylbenzimidazol-2-yl)phenyl]carbazole
CID 67818381
9-[3-[10-(3-dibenzofuran-4-ylphenyl)anthracen-9-yl]phenyl]carbazole;9,10-dinaphthalen-2-ylanthracene
CID 159084891
6-[4-(2-dibenzofuran-4-ylcarbazol-9-yl)phenyl]-2-[6-[9-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]carbazol-2-yl]dibenzofuran-3-yl]-9-(4-naphthalen-2-ylphenyl)carbazole
CID 156576285
9-[3-(8-carbazol-9-yldibenzofuran-4-yl)phenyl]-3-dibenzofuran-4-ylcarbazole
CID 58099745
3-[9-(6-dibenzofuran-3-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(6-dibenzofuran-4-ylnaphthalen-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 161417407
6-(4-carbazol-9-ylphenyl)-2-dibenzofuran-4-yl-9-(4-naphthalen-2-ylphenyl)carbazole
CID 126682058
3-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole
CID 134313296
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
7-(4-dibenzofuran-4-ylphenyl)-5-naphthalen-2-ylindolo[2,3-b]carbazole
CID 126580139

Frequently Asked Questions

What is the IUPAC name of 3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?
The IUPAC name of 3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole (CID 155305912) is 3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole.
What is the SMILES notation for 3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?
The canonical SMILES for 3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole is c1cc(-c2cccc3c2oc2ccccc23)cc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5ccccc5c4)ccc32)c1.
What is the InChIKey of 3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?
The InChIKey is BSJXIANRBVGRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-2-12-34-29-39(26-23-33(34)11-1)54-48-21-7-4-16-42(48)46-32-36(25-28-50(46)54)35-24-27-49-45(31-35)41-15-3-6-20-47(41)53(49)38-14-9-13-37(30-38)40-18-10-19-44-43-17-5-8-22-51(43)55-52(40)44/h1-32H.
What are the key properties of 3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole?
3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole has a molecular weight of 700.84 g/mol, XLogP of 14.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole is sourced from PubChem (CID 155305912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).