1-[4-[3-methyl-5-(8-methyl-8,9-dihydrodibenzofuran-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole

C53H38N4O — CID 146440270

IUPAC1-[4-[3-methyl-5-(8-methyl-8,9-dihydrodibenzofuran-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESCc1cc(-c2ccc3c4c(oc3c2)C=CC(C)C4)cc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)c1
InChIInChI=1S/C53H38N4O/c1-33-23-26-48-46(29-33)43-25-24-37(32-49(43)58-48)39-27-34(2)28-40(31-39)52-54-51(38-16-11-15-36(30-38)35-13-5-3-6-14-35)55-53(56-52)45-21-12-20-44-42-19-9-10-22-47(42)57(50(44)45)41-17-7-4-8-18-41/h3-28,30-33H,29H2,1-2H3
InChIKeyCAQHWTNHICQVFT-UHFFFAOYSA-N
MW746.91 g/mol
LogP13.56
Rot. Bonds6

About 1-[4-[3-methyl-5-(8-methyl-8,9-dihydrodibenzofuran-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole

1-[4-[3-methyl-5-(8-methyl-8,9-dihydrodibenzofuran-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (PubChem CID 146440270) has the molecular formula C53H38N4O and a molecular weight of 746.91 g/mol. Its IUPAC name is 1-[4-[3-methyl-5-(8-methyl-8,9-dihydrodibenzofuran-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name1-[4-[3-methyl-5-(8-methyl-8,9-dihydrodibenzofuran-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
PubChem CID146440270
Molecular FormulaC53H38N4O
Molecular Weight746.91 g/mol
Exact Mass746.30
IUPAC Name1-[4-[3-methyl-5-(8-methyl-8,9-dihydrodibenzofuran-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole
SMILESCc1cc(-c2ccc3c4c(oc3c2)C=CC(C)C4)cc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)c1
InChIInChI=1S/C53H38N4O/c1-33-23-26-48-46(29-33)43-25-24-37(32-49(43)58-48)39-27-34(2)28-40(31-39)52-54-51(38-16-11-15-36(30-38)35-13-5-3-6-14-35)55-53(56-52)45-21-12-20-44-42-19-9-10-22-47(42)57(50(44)45)41-17-7-4-8-18-41/h3-28,30-33H,29H2,1-2H3
InChIKeyCAQHWTNHICQVFT-UHFFFAOYSA-N
XLogP13.56
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.91
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[7-[4-dibenzofuran-3-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342651
9-phenyl-1-[4-(9-phenylcarbazol-2-yl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 169280035
9-phenyl-3-[3-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]carbazole
CID 166009381
9-phenyl-1-[2-[7-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]phenyl]carbazole
CID 170192348
2-[4-(3,5-dimethylphenyl)-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]-7-methyl-9-phenylcarbazole
CID 162699461
6-[4-[4,6-di(dibenzofuran-3-yl)-1,3,5-triazin-2-yl]phenyl]-1,9-diphenylcarbazole
CID 155201239
12-phenyl-3-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-[1]benzofuro[3,2-a]carbazole
CID 163960395
3-[7-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-3-yl]-9-phenylcarbazole
CID 146702712
3-methyl-11-[4-(3-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-12-phenyl-3,4-dihydroindolo[2,3-a]carbazole
CID 163844254
3-[3-[3-[9-[4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]phenyl]phenyl]-9-phenylcarbazole
CID 168768477
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(3-methyl-3,4-dihydrocarbazol-9-yl)phenyl]-3-methyl-11-phenyl-3,4-dihydroindolo[2,3-a]carbazole
CID 129209891
3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-[3-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-a]carbazole
CID 164705594

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-methyl-5-(8-methyl-8,9-dihydrodibenzofuran-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The IUPAC name of 1-[4-[3-methyl-5-(8-methyl-8,9-dihydrodibenzofuran-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole (CID 146440270) is 1-[4-[3-methyl-5-(8-methyl-8,9-dihydrodibenzofuran-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 1-[4-[3-methyl-5-(8-methyl-8,9-dihydrodibenzofuran-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The canonical SMILES for 1-[4-[3-methyl-5-(8-methyl-8,9-dihydrodibenzofuran-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole is Cc1cc(-c2ccc3c4c(oc3c2)C=CC(C)C4)cc(-c2nc(-c3cccc(-c4ccccc4)c3)nc(-c3cccc4c5ccccc5n(-c5ccccc5)c34)n2)c1.
What is the InChIKey of 1-[4-[3-methyl-5-(8-methyl-8,9-dihydrodibenzofuran-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
The InChIKey is CAQHWTNHICQVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N4O/c1-33-23-26-48-46(29-33)43-25-24-37(32-49(43)58-48)39-27-34(2)28-40(31-39)52-54-51(38-16-11-15-36(30-38)35-13-5-3-6-14-35)55-53(56-52)45-21-12-20-44-42-19-9-10-22-47(42)57(50(44)45)41-17-7-4-8-18-41/h3-28,30-33H,29H2,1-2H3.
What are the key properties of 1-[4-[3-methyl-5-(8-methyl-8,9-dihydrodibenzofuran-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole?
1-[4-[3-methyl-5-(8-methyl-8,9-dihydrodibenzofuran-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole has a molecular weight of 746.91 g/mol, XLogP of 13.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-methyl-5-(8-methyl-8,9-dihydrodibenzofuran-3-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 146440270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).