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

C48H30N2O — CID 166509837

IUPAC4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc5c6ccccc6n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c45)cccc32)cc1
InChIInChI=1S/C48H30N2O/c1-2-13-32(14-3-1)49-43-24-8-5-17-41(43)46-37(19-12-25-44(46)49)39-21-11-20-38-35-15-4-7-23-42(35)50(47(38)39)33-29-27-31(28-30-33)34-18-10-22-40-36-16-6-9-26-45(36)51-48(34)40/h1-30H
InChIKeyHLVOANIPAGKLCB-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

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

4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole (PubChem CID 166509837) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole
PubChem CID166509837
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc5c6ccccc6n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c45)cccc32)cc1
InChIInChI=1S/C48H30N2O/c1-2-13-32(14-3-1)49-43-24-8-5-17-41(43)46-37(19-12-25-44(46)49)39-21-11-20-38-35-15-4-7-23-42(35)50(47(38)39)33-29-27-31(28-30-33)34-18-10-22-40-36-16-6-9-26-45(36)51-48(34)40/h1-30H
InChIKeyHLVOANIPAGKLCB-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

12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole
CID 71098785
12-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 90191508
3-(4-dibenzofuran-4-ylphenyl)-24-phenyl-3,24-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4,6,8,11,13,15,18,20,22-undecaene
CID 118488562
4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole
CID 166510001
9-(4-dibenzofuran-4-ylphenyl)-14-[4-(4-phenylphenyl)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
CID 126580159
9-(4-dibenzofuran-4-ylphenyl)-14-(4-phenylphenyl)-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
CID 126580156
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
12-(4-dibenzofuran-4-ylphenyl)-5,9-diphenylindolo[3,2-c]carbazole
CID 126580189
5-(4-dibenzofuran-4-ylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 90225205
12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-4-ylphenyl)-11-phenylindolo[2,3-a]carbazole;11,12-diphenyl-3-(9-phenylcarbazol-3-yl)indolo[2,3-a]carbazole;methane
CID 158881959
9-carbazol-9-yl-5,12-diphenylindolo[3,2-c]carbazole;5-(4-carbazol-9-ylphenyl)-12-phenylindolo[3,2-c]carbazole;9-dibenzofuran-4-yl-5,12-diphenylindolo[3,2-c]carbazole;5,12-diphenyl-9-(9-phenylcarbazol-3-yl)indolo[3,2-c]carbazole
CID 162123659
12-(4-dibenzofuran-4-ylphenyl)-2,11-diphenylindolo[2,3-a]carbazole
CID 126580151

Frequently Asked Questions

What is the IUPAC name of 4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole?
The IUPAC name of 4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole (CID 166509837) is 4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole.
What is the SMILES notation for 4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole?
The canonical SMILES for 4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3c(-c4cccc5c6ccccc6n(-c6ccc(-c7cccc8c7oc7ccccc78)cc6)c45)cccc32)cc1.
What is the InChIKey of 4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole?
The InChIKey is HLVOANIPAGKLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-2-13-32(14-3-1)49-43-24-8-5-17-41(43)46-37(19-12-25-44(46)49)39-21-11-20-38-35-15-4-7-23-42(35)50(47(38)39)33-29-27-31(28-30-33)34-18-10-22-40-36-16-6-9-26-45(36)51-48(34)40/h1-30H.
What are the key properties of 4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole?
4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole 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 4-[9-(4-dibenzofuran-4-ylphenyl)carbazol-1-yl]-9-phenylcarbazole is sourced from PubChem (CID 166509837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).