2-(9-phenylcarbazol-1-yl)-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine

C49H32N6O — CID 142592711

IUPAC2-(9-phenylcarbazol-1-yl)-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(C4N=C(c5cccc6c7ccccc7n(-c7ccccc7)c56)Nc5c4oc4ccccc54)n3)c2)cc1
InChIInChI=1S/C49H32N6O/c1-4-16-31(17-5-1)33-20-14-21-34(30-33)47-52-46(32-18-6-2-7-19-32)53-49(54-47)43-45-42(38-25-11-13-29-41(38)56-45)50-48(51-43)39-27-15-26-37-36-24-10-12-28-40(36)55(44(37)39)35-22-8-3-9-23-35/h1-30,43H,(H,50,51)
InChIKeyWJJDQXCCDAETRZ-UHFFFAOYSA-N
MW720.84 g/mol
LogP11.68
Rot. Bonds6

About 2-(9-phenylcarbazol-1-yl)-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine

2-(9-phenylcarbazol-1-yl)-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 142592711) has the molecular formula C49H32N6O and a molecular weight of 720.84 g/mol. Its IUPAC name is 2-(9-phenylcarbazol-1-yl)-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(9-phenylcarbazol-1-yl)-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine
PubChem CID142592711
Molecular FormulaC49H32N6O
Molecular Weight720.84 g/mol
Exact Mass720.26
IUPAC Name2-(9-phenylcarbazol-1-yl)-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(C4N=C(c5cccc6c7ccccc7n(-c7ccccc7)c56)Nc5c4oc4ccccc54)n3)c2)cc1
InChIInChI=1S/C49H32N6O/c1-4-16-31(17-5-1)33-20-14-21-34(30-33)47-52-46(32-18-6-2-7-19-32)53-49(54-47)43-45-42(38-25-11-13-29-41(38)56-45)50-48(51-43)39-27-15-26-37-36-24-10-12-28-40(36)55(44(37)39)35-22-8-3-9-23-35/h1-30,43H,(H,50,51)
InChIKeyWJJDQXCCDAETRZ-UHFFFAOYSA-N
XLogP11.68
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.84
LogP ≤ 511.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(9-phenylcarbazol-1-yl)-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine with MolForge

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Related Compounds

1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 162775202
9-phenyl-1-[2-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 170192348
1-(9-phenylcarbazol-1-yl)-9-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 155305816
1-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9-phenylcarbazole
CID 154602228
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-6,9-diphenylcarbazole
CID 156549397
12-[9-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-11-phenylindolo[2,3-a]carbazole
CID 130231332
1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-phenyl-[1]benzofuro[3,2-a]carbazole;1-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-phenylphenyl)-[1]benzofuro[3,2-a]carbazole;1-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163485855
1-[2-[7-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-9-phenylcarbazole
CID 170192632
1-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-12-phenyl-[1]benzofuro[3,2-a]carbazole
CID 163904282
2-[9-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]carbazol-1-yl]-1,3-benzoxazole
CID 156661239
1-[7-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342651
1-[4-[4-dibenzofuran-3-yl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazol-9-yl]-9-phenylcarbazole
CID 168807681

Frequently Asked Questions

What is the IUPAC name of 2-(9-phenylcarbazol-1-yl)-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-(9-phenylcarbazol-1-yl)-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine (CID 142592711) is 2-(9-phenylcarbazol-1-yl)-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-(9-phenylcarbazol-1-yl)-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-(9-phenylcarbazol-1-yl)-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(C4N=C(c5cccc6c7ccccc7n(-c7ccccc7)c56)Nc5c4oc4ccccc54)n3)c2)cc1.
What is the InChIKey of 2-(9-phenylcarbazol-1-yl)-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is WJJDQXCCDAETRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N6O/c1-4-16-31(17-5-1)33-20-14-21-34(30-33)47-52-46(32-18-6-2-7-19-32)53-49(54-47)43-45-42(38-25-11-13-29-41(38)56-45)50-48(51-43)39-27-15-26-37-36-24-10-12-28-40(36)55(44(37)39)35-22-8-3-9-23-35/h1-30,43H,(H,50,51).
What are the key properties of 2-(9-phenylcarbazol-1-yl)-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine?
2-(9-phenylcarbazol-1-yl)-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 720.84 g/mol, XLogP of 11.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-phenylcarbazol-1-yl)-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,4-dihydro-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 142592711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).