9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole

C48H30N2O — CID 153075401

IUPAC9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c5c(c4)oc4ccccc45)cccc32)cc1
InChIInChI=1S/C48H30N2O/c1-3-15-32(16-4-1)49-40-24-10-7-19-36(40)46-34(22-13-26-42(46)49)31-29-39(48-38-21-9-12-28-44(38)51-45(48)30-31)35-23-14-27-43-47(35)37-20-8-11-25-41(37)50(43)33-17-5-2-6-18-33/h1-30H
InChIKeyVMEYSUSLGMVJNK-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

About 9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole

9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole (PubChem CID 153075401) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole
PubChem CID153075401
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3c(-c4cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c5c(c4)oc4ccccc45)cccc32)cc1
InChIInChI=1S/C48H30N2O/c1-3-15-32(16-4-1)49-40-24-10-7-19-36(40)46-34(22-13-26-42(46)49)31-29-39(48-38-21-9-12-28-44(38)51-45(48)30-31)35-23-14-27-43-47(35)37-20-8-11-25-41(37)50(43)33-17-5-2-6-18-33/h1-30H
InChIKeyVMEYSUSLGMVJNK-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

4-(9-phenylcarbazol-4-yl)-9-[3-(4-phenylphenyl)dibenzofuran-1-yl]carbazole
CID 167200557
4-[9-(2-dibenzofuran-1-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166510148
4-dibenzofuran-3-yl-9,14-diphenyl-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 122599853
4-[2-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-1-yl]phenyl]-9-phenylcarbazole
CID 170193088
4-[9-(2-dibenzofuran-3-ylphenyl)carbazol-2-yl]-9-phenylcarbazole
CID 166509813
4-[3-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146572654
4-(8-carbazol-9-yldibenzofuran-2-yl)-9-phenylcarbazole
CID 149044297
9-phenyl-2-[1-(9-phenylcarbazol-2-yl)dibenzofuran-3-yl]carbazole
CID 147550718
9-[4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]phenyl]carbazole
CID 163638937
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 162775202
9-[4-(3-dibenzofuran-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-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
CID 166592067
4-[9-[4-(4-dibenzofuran-3-ylphenyl)phenyl]carbazol-1-yl]-9-phenylcarbazole
CID 166510001

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole?
The IUPAC name of 9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole (CID 153075401) is 9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole.
What is the SMILES notation for 9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole?
The canonical SMILES for 9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole is c1ccc(-n2c3ccccc3c3c(-c4cc(-c5cccc6c5c5ccccc5n6-c5ccccc5)c5c(c4)oc4ccccc45)cccc32)cc1.
What is the InChIKey of 9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole?
The InChIKey is VMEYSUSLGMVJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-15-32(16-4-1)49-40-24-10-7-19-36(40)46-34(22-13-26-42(46)49)31-29-39(48-38-21-9-12-28-44(38)51-45(48)30-31)35-23-14-27-43-47(35)37-20-8-11-25-41(37)50(43)33-17-5-2-6-18-33/h1-30H.
What are the key properties of 9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole?
9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-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 9-phenyl-4-[1-(9-phenylcarbazol-4-yl)dibenzofuran-3-yl]carbazole is sourced from PubChem (CID 153075401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).