9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

C57H36N4O — CID 155087437

IUPAC9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc(-c6ccccc6)c6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c6c5)cc4)n3)cc2)cc1
InChIInChI=1S/C57H36N4O/c1-4-14-37(15-5-1)38-24-28-42(29-25-38)56-58-55(41-18-8-3-9-19-41)59-57(60-56)43-30-26-39(27-31-43)44-34-49(40-16-6-2-7-17-40)54-48-21-10-12-22-50(48)61(51(54)35-44)45-32-33-47-46-20-11-13-23-52(46)62-53(47)36-45/h1-36H
InChIKeyHVRVFRUCVKKEHU-UHFFFAOYSA-N
MW792.94 g/mol
LogP14.87
Rot. Bonds7

About 9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole

9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (PubChem CID 155087437) has the molecular formula C57H36N4O and a molecular weight of 792.94 g/mol. Its IUPAC name is 9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
PubChem CID155087437
Molecular FormulaC57H36N4O
Molecular Weight792.94 g/mol
Exact Mass792.29
IUPAC Name9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc(-c6ccccc6)c6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c6c5)cc4)n3)cc2)cc1
InChIInChI=1S/C57H36N4O/c1-4-14-37(15-5-1)38-24-28-42(29-25-38)56-58-55(41-18-8-3-9-19-41)59-57(60-56)43-30-26-39(27-31-43)44-34-49(40-16-6-2-7-17-40)54-48-21-10-12-22-50(48)61(51(54)35-44)45-32-33-47-46-20-11-13-23-52(46)62-53(47)36-45/h1-36H
InChIKeyHVRVFRUCVKKEHU-UHFFFAOYSA-N
XLogP14.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.94
LogP ≤ 514.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-2,4-diphenylcarbazole
CID 155203348
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(8-phenyldibenzofuran-3-yl)carbazole
CID 162775252
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-4-(7-phenyldibenzofuran-2-yl)carbazole
CID 162775165
4-phenyl-9-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146337627
9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]carbazole
CID 146335707
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-[9-(4-phenylphenyl)dibenzofuran-3-yl]carbazole
CID 170081092
9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylcarbazole;9-[3-[4-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenylcarbazole
CID 165093740
4-phenyl-9-[4-(3-phenylphenyl)phenyl]-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087478
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-2-(3-phenylphenyl)carbazole
CID 170539165
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 138747351
9-[4-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-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 169014536
9-[8-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]carbazole
CID 166953169

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The IUPAC name of 9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole (CID 155087437) is 9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole.
What is the SMILES notation for 9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The canonical SMILES for 9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cc(-c6ccccc6)c6c7ccccc7n(-c7ccc8c(c7)oc7ccccc78)c6c5)cc4)n3)cc2)cc1.
What is the InChIKey of 9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
The InChIKey is HVRVFRUCVKKEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H36N4O/c1-4-14-37(15-5-1)38-24-28-42(29-25-38)56-58-55(41-18-8-3-9-19-41)59-57(60-56)43-30-26-39(27-31-43)44-34-49(40-16-6-2-7-17-40)54-48-21-10-12-22-50(48)61(51(54)35-44)45-32-33-47-46-20-11-13-23-52(46)62-53(47)36-45/h1-36H.
What are the key properties of 9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole?
9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole has a molecular weight of 792.94 g/mol, XLogP of 14.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-3-yl-4-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole is sourced from PubChem (CID 155087437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).