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

C52H31N5O2 — CID 176756301

IUPAC2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc3cccc(-c4nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)nc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)n4)c3o2)cc1
InChIInChI=1S/C52H31N5O2/c1-4-15-32(16-5-1)36-22-12-23-38-39-24-13-25-40(47(39)58-46(36)38)50-54-49(55-51(56-50)41-26-14-27-43-48(41)59-52(53-43)33-17-6-2-7-18-33)34-29-30-45-42(31-34)37-21-10-11-28-44(37)57(45)35-19-8-3-9-20-35/h1-31H
InChIKeyMLZWKSVXLPJJPB-UHFFFAOYSA-N
MW757.85 g/mol
LogP13.34
Rot. Bonds6

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

2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole (PubChem CID 176756301) has the molecular formula C52H31N5O2 and a molecular weight of 757.85 g/mol. Its IUPAC name is 2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
PubChem CID176756301
Molecular FormulaC52H31N5O2
Molecular Weight757.85 g/mol
Exact Mass757.25
IUPAC Name2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2nc3cccc(-c4nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)nc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)n4)c3o2)cc1
InChIInChI=1S/C52H31N5O2/c1-4-15-32(16-5-1)36-22-12-23-38-39-24-13-25-40(47(39)58-46(36)38)50-54-49(55-51(56-50)41-26-14-27-43-48(41)59-52(53-43)33-17-6-2-7-18-33)34-29-30-45-42(31-34)37-21-10-11-28-44(37)57(45)35-19-8-3-9-20-35/h1-31H
InChIKeyMLZWKSVXLPJJPB-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-(3-phenylcarbazol-9-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 176756284
3-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 122501655
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-5,7-diphenylindolo[2,3-b]carbazole
CID 118020105
7-[4-(3-dibenzothiophen-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenyl-1,3-benzoxazole
CID 176756251
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
2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 170681615
7-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-1,3-benzoxazole
CID 176756169
9-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-2-phenylbenzo[g][1,3]benzoxazole
CID 176764453
18-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]-5-phenyl-4-oxa-6-azapentacyclo[11.8.0.02,10.03,7.016,21]henicosa-1(13),2(10),3(7),5,8,11,14,16(21),17,19-decaene
CID 176631266
3-[6-[4-(2,3,4,5,6-pentadeuteriophenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-9-phenylcarbazole
CID 168770097
7-[4,6-di(carbazol-9-yl)pyrimidin-2-yl]-2-phenyl-1,3-benzoxazole
CID 170681499
3-(4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534453

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole (CID 176756301) is 2-phenyl-7-[4-(9-phenylcarbazol-3-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-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole is c1ccc(-c2nc3cccc(-c4nc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)nc(-c5cccc6c5oc5c(-c7ccccc7)cccc56)n4)c3o2)cc1.
What is the InChIKey of 2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
The InChIKey is MLZWKSVXLPJJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N5O2/c1-4-15-32(16-5-1)36-22-12-23-38-39-24-13-25-40(47(39)58-46(36)38)50-54-49(55-51(56-50)41-26-14-27-43-48(41)59-52(53-43)33-17-6-2-7-18-33)34-29-30-45-42(31-34)37-21-10-11-28-44(37)57(45)35-19-8-3-9-20-35/h1-31H.
What are the key properties of 2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
2-phenyl-7-[4-(9-phenylcarbazol-3-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-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 176756301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).