4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole

C48H30N2O — CID 167201246

IUPAC4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C48H30N2O/c1-3-15-31(16-4-1)32-29-39-34-19-9-12-28-45(34)51-48(39)44(30-32)50-41-25-11-8-21-38(41)47-36(23-14-27-43(47)50)35-22-13-26-42-46(35)37-20-7-10-24-40(37)49(42)33-17-5-2-6-18-33/h1-30H
InChIKeyDNPWGUVGCRJFNN-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.11
Rot. Bonds4

About 4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole

4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole (PubChem CID 167201246) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole.

Molecular Properties

Compound Name4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
PubChem CID167201246
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
SMILESc1ccc(-c2cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)c3oc4ccccc4c3c2)cc1
InChIInChI=1S/C48H30N2O/c1-3-15-31(16-4-1)32-29-39-34-19-9-12-28-45(34)51-48(39)44(30-32)50-41-25-11-8-21-38(41)47-36(23-14-27-43(47)50)35-22-13-26-42-46(35)37-20-7-10-24-40(37)49(42)33-17-5-2-6-18-33/h1-30H
InChIKeyDNPWGUVGCRJFNN-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
12-[2-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 166699655
3-[3-(4-carbazol-9-yldibenzofuran-2-yl)phenyl]-9-phenylcarbazole;ethane
CID 144723930
2-(9-phenylcarbazol-3-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole
CID 167200544
4-[6-dibenzofuran-4-yl-4-(4-phenylphenyl)-2-pyridinyl]-9-phenylcarbazole
CID 118154043
2-[9-(2-phenyldibenzofuran-4-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 167201110
5-[3-(2-carbazol-9-ylphenyl)phenyl]-[1]benzofuro[3,2-c]carbazole
CID 126652572
5-[9-[2-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazol-4-yl]-2,9-diphenylcarbazole
CID 174273348
3,6-di(dibenzofuran-2-yl)-9-[2-[4-(9-phenylcarbazol-4-yl)phenyl]phenyl]carbazole
CID 166037350
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
5-phenyl-2-(3-phenylphenyl)-[1]benzofuro[3,2-c]carbazole
CID 121343859

Frequently Asked Questions

What is the IUPAC name of 4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole?
The IUPAC name of 4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole (CID 167201246) is 4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole.
What is the SMILES notation for 4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole?
The canonical SMILES for 4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole is c1ccc(-c2cc(-n3c4ccccc4c4c(-c5cccc6c5c5ccccc5n6-c5ccccc5)cccc43)c3oc4ccccc4c3c2)cc1.
What is the InChIKey of 4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole?
The InChIKey is DNPWGUVGCRJFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-15-31(16-4-1)32-29-39-34-19-9-12-28-45(34)51-48(39)44(30-32)50-41-25-11-8-21-38(41)47-36(23-14-27-43(47)50)35-22-13-26-42-46(35)37-20-7-10-24-40(37)49(42)33-17-5-2-6-18-33/h1-30H.
What are the key properties of 4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole?
4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-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 4-(9-phenylcarbazol-4-yl)-9-(2-phenyldibenzofuran-4-yl)carbazole is sourced from PubChem (CID 167201246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).