2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole

C51H30N4O2 — CID 170080487

IUPAC2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)oc2cccc(-n4c5ccccc5c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)cc54)c23)cc1
InChIInChI=1S/C51H30N4O2/c1-3-12-31(13-4-1)33-22-27-40-47(29-33)57-45-21-11-19-42(48(40)45)55-41-18-9-7-16-36(41)37-25-23-34(28-43(37)55)50-52-49(32-14-5-2-6-15-32)53-51(54-50)35-24-26-39-38-17-8-10-20-44(38)56-46(39)30-35/h1-30H
InChIKeyWCSWRHKIURLYAU-UHFFFAOYSA-N
MW730.83 g/mol
LogP13.44
Rot. Bonds5

About 2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole

2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole (PubChem CID 170080487) has the molecular formula C51H30N4O2 and a molecular weight of 730.83 g/mol. Its IUPAC name is 2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole.

Molecular Properties

Compound Name2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
PubChem CID170080487
Molecular FormulaC51H30N4O2
Molecular Weight730.83 g/mol
Exact Mass730.24
IUPAC Name2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole
SMILESc1ccc(-c2ccc3c(c2)oc2cccc(-n4c5ccccc5c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)cc54)c23)cc1
InChIInChI=1S/C51H30N4O2/c1-3-12-31(13-4-1)33-22-27-40-47(29-33)57-45-21-11-19-42(48(40)45)55-41-18-9-7-16-36(41)37-25-23-34(28-43(37)55)50-52-49(32-14-5-2-6-15-32)53-51(54-50)35-24-26-39-38-17-8-10-20-44(38)56-46(39)30-35/h1-30H
InChIKeyWCSWRHKIURLYAU-UHFFFAOYSA-N
XLogP13.44
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.83
LogP ≤ 513.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-dibenzofuran-1-yl-6-phenyl-2-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155087247
9-(7-phenyldibenzofuran-1-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080580
CID 174045542
CID 174045542
9-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenylcarbazole
CID 146335876
9-[3-phenyl-7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 166495709
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 171437863
9-(3-dibenzofuran-3-ylphenyl)-2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 171438053
9-[2-[7-[4-dibenzofuran-2-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 176607657
2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342798
9-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164821915
3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(9-phenyldibenzofuran-1-yl)carbazole
CID 177129529
9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-2-phenylcarbazole;9-[7-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-3-phenylcarbazole;2,7-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;3,6-diphenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;2-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;3-phenyl-9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;9-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole;9-[7-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]carbazole
CID 158100934

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole?
The IUPAC name of 2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole (CID 170080487) is 2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole.
What is the SMILES notation for 2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole?
The canonical SMILES for 2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole is c1ccc(-c2ccc3c(c2)oc2cccc(-n4c5ccccc5c5ccc(-c6nc(-c7ccccc7)nc(-c7ccc8c(c7)oc7ccccc78)n6)cc54)c23)cc1.
What is the InChIKey of 2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole?
The InChIKey is WCSWRHKIURLYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4O2/c1-3-12-31(13-4-1)33-22-27-40-47(29-33)57-45-21-11-19-42(48(40)45)55-41-18-9-7-16-36(41)37-25-23-34(28-43(37)55)50-52-49(32-14-5-2-6-15-32)53-51(54-50)35-24-26-39-38-17-8-10-20-44(38)56-46(39)30-35/h1-30H.
What are the key properties of 2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole?
2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole has a molecular weight of 730.83 g/mol, XLogP of 13.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)-9-(7-phenyldibenzofuran-1-yl)carbazole is sourced from PubChem (CID 170080487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).