9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole

C64H42N4O — CID 166700833

IUPAC9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(C5CCc6cc7ccccc7cc6-c6ccccc65)cc5c4oc4ccccc45)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C64H42N4O/c1-3-16-40(17-4-1)41-30-32-42(33-31-41)62-65-63(53-26-15-28-58-60(53)52-25-11-13-27-57(52)68(58)47-20-5-2-6-21-47)67-64(66-62)56-39-46(38-55-51-24-12-14-29-59(51)69-61(55)56)48-35-34-45-36-43-18-7-8-19-44(43)37-54(45)50-23-10-9-22-49(48)50/h1-33,36-39,48H,34-35H2
InChIKeyUBWWAKWYCQBJJH-UHFFFAOYSA-N
MW883.07 g/mol
LogP16.43
Rot. Bonds6

About 9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole

9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 166700833) has the molecular formula C64H42N4O and a molecular weight of 883.07 g/mol. Its IUPAC name is 9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole
PubChem CID166700833
Molecular FormulaC64H42N4O
Molecular Weight883.07 g/mol
Exact Mass882.34
IUPAC Name9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4cc(C5CCc6cc7ccccc7cc6-c6ccccc65)cc5c4oc4ccccc45)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C64H42N4O/c1-3-16-40(17-4-1)41-30-32-42(33-31-41)62-65-63(53-26-15-28-58-60(53)52-25-11-13-27-57(52)68(58)47-20-5-2-6-21-47)67-64(66-62)56-39-46(38-55-51-24-12-14-29-59(51)69-61(55)56)48-35-34-45-36-43-18-7-8-19-44(43)37-54(45)50-23-10-9-22-49(48)50/h1-33,36-39,48H,34-35H2
InChIKeyUBWWAKWYCQBJJH-UHFFFAOYSA-N
XLogP16.43
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.07
LogP ≤ 516.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole with MolForge

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Related Compounds

2-dibenzofuran-1-yl-4-phenyl-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazine
CID 166699923
9-phenyl-4-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole
CID 167043015
5-[4-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]benzo[b]carbazole
CID 167347449
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 167042969
9-[4-dibenzofuran-3-yl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-1-yl]-1,3,5-triazin-2-yl]carbazole
CID 166699724
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
9-[4-phenyl-6-[3-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 166699318
4-[9-[4-(4-dibenzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 168767945
9-[4-dibenzofuran-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole;4-[4-dibenzofuran-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole;9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole
CID 164984406
2-naphthalen-2-yl-4-phenyl-6-[4-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 167043634
4-(4-naphtho[2,3-b][1]benzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 159816656
8-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenyl-[1]benzofuro[3,2-c]carbazole
CID 163505765

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole?
The IUPAC name of 9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole (CID 166700833) is 9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole?
The canonical SMILES for 9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole is c1ccc(-c2ccc(-c3nc(-c4cc(C5CCc6cc7ccccc7cc6-c6ccccc65)cc5c4oc4ccccc45)nc(-c4cccc5c4c4ccccc4n5-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole?
The InChIKey is UBWWAKWYCQBJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H42N4O/c1-3-16-40(17-4-1)41-30-32-42(33-31-41)62-65-63(53-26-15-28-58-60(53)52-25-11-13-27-57(52)68(58)47-20-5-2-6-21-47)67-64(66-62)56-39-46(38-55-51-24-12-14-29-59(51)69-61(55)56)48-35-34-45-36-43-18-7-8-19-44(43)37-54(45)50-23-10-9-22-49(48)50/h1-33,36-39,48H,34-35H2.
What are the key properties of 9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole?
9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole has a molecular weight of 883.07 g/mol, XLogP of 16.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-4-[4-(4-phenylphenyl)-6-[2-(8-tetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2,4,6,11,13,15,17-octaenyl)dibenzofuran-4-yl]-1,3,5-triazin-2-yl]carbazole is sourced from PubChem (CID 166700833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).