2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole

C52H31N5O2 — CID 170681615

IUPAC2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3oc4cc(-c5nc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)nc(-c6cccc7nc(-c8ccccc8)oc67)n5)ccc4c3c2)cc1
InChIInChI=1S/C52H31N5O2/c1-4-13-32(14-5-1)34-25-28-46-42(29-34)40-27-24-36(31-47(40)58-46)50-54-49(55-51(56-50)41-20-12-21-43-48(41)59-52(53-43)33-15-6-2-7-16-33)35-23-26-39-38-19-10-11-22-44(38)57(45(39)30-35)37-17-8-3-9-18-37/h1-31H
InChIKeyMPGCXBNZPWSVSI-UHFFFAOYSA-N
MW757.85 g/mol
LogP13.34
Rot. Bonds6

About 2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole

2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole (PubChem CID 170681615) has the molecular formula C52H31N5O2 and a molecular weight of 757.85 g/mol. Its IUPAC name is 2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
PubChem CID170681615
Molecular FormulaC52H31N5O2
Molecular Weight757.85 g/mol
Exact Mass757.25
IUPAC Name2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
SMILESc1ccc(-c2ccc3oc4cc(-c5nc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)nc(-c6cccc7nc(-c8ccccc8)oc67)n5)ccc4c3c2)cc1
InChIInChI=1S/C52H31N5O2/c1-4-13-32(14-5-1)34-25-28-46-42(29-34)40-27-24-36(31-47(40)58-46)50-54-49(55-51(56-50)41-20-12-21-43-48(41)59-52(53-43)33-15-6-2-7-16-33)35-23-26-39-38-19-10-11-22-44(38)57(45(39)30-35)37-17-8-3-9-18-37/h1-31H
InChIKeyMPGCXBNZPWSVSI-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

Analyze 2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[7-[4-[8-[4-[4-dibenzofuran-3-yl-6-[7-(9-phenylcarbazol-3-yl)dibenzofuran-3-yl]-1,3,5-triazin-2-yl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 170140037
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
CID 154602336
2-phenyl-7-[4-(9-phenylcarbazol-3-yl)-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole
CID 176756301
2-[4-dibenzofuran-3-yl-6-[2-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenylcarbazole
CID 169280137
2-(4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-1,3,5-triazin-2-yl)-9-phenylcarbazole
CID 170534501
2-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole
CID 163556848
3-[8-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 139342236
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
9-[3-[4-dibenzofuran-3-yl-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 159113305
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342775
2-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 166009472
1-[8-[4-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 157480548

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
The IUPAC name of 2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole (CID 170681615) is 2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
The canonical SMILES for 2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole is c1ccc(-c2ccc3oc4cc(-c5nc(-c6ccc7c8ccccc8n(-c8ccccc8)c7c6)nc(-c6cccc7nc(-c8ccccc8)oc67)n5)ccc4c3c2)cc1.
What is the InChIKey of 2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
The InChIKey is MPGCXBNZPWSVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N5O2/c1-4-13-32(14-5-1)34-25-28-46-42(29-34)40-27-24-36(31-47(40)58-46)50-54-49(55-51(56-50)41-20-12-21-43-48(41)59-52(53-43)33-15-6-2-7-16-33)35-23-26-39-38-19-10-11-22-44(38)57(45(39)30-35)37-17-8-3-9-18-37/h1-31H.
What are the key properties of 2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole?
2-phenyl-7-[4-(9-phenylcarbazol-2-yl)-6-(8-phenyldibenzofuran-3-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-2-yl)-6-(8-phenyldibenzofuran-3-yl)-1,3,5-triazin-2-yl]-1,3-benzoxazole is sourced from PubChem (CID 170681615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).