2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole

C52H31N5O2 — CID 176756284

IUPAC2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3cccc4nc(-c5ccccc5)oc34)nc(-c3cccc4c3oc3c(-c5ccccc5)cccc34)n2)cc1
InChIInChI=1S/C52H31N5O2/c1-4-15-32(16-5-1)35-29-30-45-42(31-35)37-21-10-11-28-44(37)57(45)52-55-49(54-50(56-52)41-26-14-27-43-48(41)59-51(53-43)34-19-8-3-9-20-34)40-25-13-24-39-38-23-12-22-36(46(38)58-47(39)40)33-17-6-2-7-18-33/h1-31H
InChIKeyRUIWZHVNFLVLMG-UHFFFAOYSA-N
MW757.85 g/mol
LogP13.34
Rot. Bonds6

About 2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole

2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole (PubChem CID 176756284) has the molecular formula C52H31N5O2 and a molecular weight of 757.85 g/mol. Its IUPAC name is 2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
PubChem CID176756284
Molecular FormulaC52H31N5O2
Molecular Weight757.85 g/mol
Exact Mass757.25
IUPAC Name2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3cccc4nc(-c5ccccc5)oc34)nc(-c3cccc4c3oc3c(-c5ccccc5)cccc34)n2)cc1
InChIInChI=1S/C52H31N5O2/c1-4-15-32(16-5-1)35-29-30-45-42(31-35)37-21-10-11-28-44(37)57(45)52-55-49(54-50(56-52)41-26-14-27-43-48(41)59-51(53-43)34-19-8-3-9-20-34)40-25-13-24-39-38-23-12-22-36(46(38)58-47(39)40)33-17-6-2-7-18-33/h1-31H
InChIKeyRUIWZHVNFLVLMG-UHFFFAOYSA-N
XLogP13.34
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500757.85
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 176756301
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756169
7-(4-carbazol-9-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756155
2-phenyl-7-[3-[4-(4-phenylcarbazol-9-yl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 176756303
7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-2-phenyl-1,3-benzoxazole
CID 170681499
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 122501655
7-(4-carbazol-9-yl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 176756191
2-phenyl-7-[4-[3-[3-[4-(9-phenylcarbazol-4-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-1,3-benzoxazole
CID 170681673
7-(4-carbazol-9-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 170681680
7-[4-carbazol-9-yl-6-(1-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756196
7-[4-[12-[4,6-di(dibenzofuran-4-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-11-yl]phenyl]-2-phenyl-1,3-benzoxazole
CID 166583497
9-[4-phenyl-6-[3-(6-phenyldibenzofuran-4-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171599823

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole (CID 176756284) is 2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole is c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3cccc4nc(-c5ccccc5)oc34)nc(-c3cccc4c3oc3c(-c5ccccc5)cccc34)n2)cc1.
What is the InChIKey of 2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
The InChIKey is RUIWZHVNFLVLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N5O2/c1-4-15-32(16-5-1)35-29-30-45-42(31-35)37-21-10-11-28-44(37)57(45)52-55-49(54-50(56-52)41-26-14-27-43-48(41)59-51(53-43)34-19-8-3-9-20-34)40-25-13-24-39-38-23-12-22-36(46(38)58-47(39)40)33-17-6-2-7-18-33/h1-31H.
What are the key properties of 2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole has a molecular weight of 757.85 g/mol, XLogP of 13.34, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-[4-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 176756284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).