3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole

C52H32N2O — CID 126753261

IUPAC3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5oc5ccccc56)c5ccccc45)ccc32)cc1
InChIInChI=1S/C52H32N2O/c1-2-13-35(14-3-1)53-46-22-9-6-17-39(46)44-31-33(25-28-49(44)53)34-26-29-50-45(32-34)40-18-7-10-23-47(40)54(50)48-30-27-37(36-15-4-5-16-38(36)48)42-20-12-21-43-41-19-8-11-24-51(41)55-52(42)43/h1-32H
InChIKeyXZSOSHWMQSNZNV-UHFFFAOYSA-N
MW700.84 g/mol
LogP14.27
Rot. Bonds4

About 3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole

3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole (PubChem CID 126753261) has the molecular formula C52H32N2O and a molecular weight of 700.84 g/mol. Its IUPAC name is 3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
PubChem CID126753261
Molecular FormulaC52H32N2O
Molecular Weight700.84 g/mol
Exact Mass700.25
IUPAC Name3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5oc5ccccc56)c5ccccc45)ccc32)cc1
InChIInChI=1S/C52H32N2O/c1-2-13-35(14-3-1)53-46-22-9-6-17-39(46)44-31-33(25-28-49(44)53)34-26-29-50-45(32-34)40-18-7-10-23-47(40)54(50)48-30-27-37(36-15-4-5-16-38(36)48)42-20-12-21-43-41-19-8-11-24-51(41)55-52(42)43/h1-32H
InChIKeyXZSOSHWMQSNZNV-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-(2-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 177209647
5-(4-dibenzofuran-4-ylnaphthalen-1-yl)-9,12-diphenylindolo[3,2-c]carbazole
CID 166588029
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
2-(9-dibenzofuran-4-ylcarbazol-3-yl)-7-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 88594574
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
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
9-(4-carbazol-9-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9-(4-dibenzofuran-4-ylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene;9,14-diphenyl-5-(9-phenylcarbazol-3-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 159165938
2-[4-(3-dibenzofuran-4-ylcarbazol-9-yl)-6-phenyl-1,3,5-triazin-2-yl]-9-phenylcarbazole;3-dibenzofuran-4-yl-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]carbazole;6-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylcarbazole
CID 165107599

Frequently Asked Questions

What is the IUPAC name of 3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole (CID 126753261) is 3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(-c5cccc6c5oc5ccccc56)c5ccccc45)ccc32)cc1.
What is the InChIKey of 3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole?
The InChIKey is XZSOSHWMQSNZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2O/c1-2-13-35(14-3-1)53-46-22-9-6-17-39(46)44-31-33(25-28-49(44)53)34-26-29-50-45(32-34)40-18-7-10-23-47(40)54(50)48-30-27-37(36-15-4-5-16-38(36)48)42-20-12-21-43-41-19-8-11-24-51(41)55-52(42)43/h1-32H.
What are the key properties of 3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole?
3-[9-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole 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-(4-dibenzofuran-4-ylnaphthalen-1-yl)carbazol-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 126753261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).