9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole

C47H32N4O — CID 167309669

IUPAC9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-n3c4ccccc4c4ccc(-c5ccc6oc7ccc(-c8ccccc8)cc7c6c5)cc43)n2)cc1
InChIInChI=1S/C47H32N4O/c1-29-12-16-32(17-13-29)45-48-46(33-18-14-30(2)15-19-33)50-47(49-45)51-41-11-7-6-10-37(41)38-23-20-36(28-42(38)51)35-22-25-44-40(27-35)39-26-34(21-24-43(39)52-44)31-8-4-3-5-9-31/h3-28H,1-2H3
InChIKeyWLOZEMPIPPGNOE-UHFFFAOYSA-N
MW668.80 g/mol
LogP12.15
Rot. Bonds5

About 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole

9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole (PubChem CID 167309669) has the molecular formula C47H32N4O and a molecular weight of 668.80 g/mol. Its IUPAC name is 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole.

Molecular Properties

Compound Name9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole
PubChem CID167309669
Molecular FormulaC47H32N4O
Molecular Weight668.80 g/mol
Exact Mass668.26
IUPAC Name9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole
SMILESCc1ccc(-c2nc(-c3ccc(C)cc3)nc(-n3c4ccccc4c4ccc(-c5ccc6oc7ccc(-c8ccccc8)cc7c6c5)cc43)n2)cc1
InChIInChI=1S/C47H32N4O/c1-29-12-16-32(17-13-29)45-48-46(33-18-14-30(2)15-19-33)50-47(49-45)51-41-11-7-6-10-37(41)38-23-20-36(28-42(38)51)35-22-25-44-40(27-35)39-26-34(21-24-43(39)52-44)31-8-4-3-5-9-31/h3-28H,1-2H3
InChIKeyWLOZEMPIPPGNOE-UHFFFAOYSA-N
XLogP12.15
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.80
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-2-(3,5-diphenylphenyl)carbazole
CID 135144062
9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-3-phenylcarbazole
CID 154978544
2-dibenzofuran-2-yl-9-[4-phenyl-6-(9-phenylcarbazol-2-yl)-1,3,5-triazin-2-yl]carbazole
CID 164970157
2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzofuran-2-yl-7-methylcarbazole
CID 176750740
7-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methyl-[1]benzofuro[2,3-b]carbazole
CID 66829163
9-[4-(7-dibenzofuran-2-yldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 155358257
3-dibenzofuran-3-yl-9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 164954379
9-[4-(7-methyldibenzofuran-3-yl)-6-phenyl-1,3,5-triazin-2-yl]carbazole
CID 165051640
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-9-(4-phenylphenyl)carbazole
CID 154602336
5-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)-7-(4-triphenylen-2-ylphenyl)indolo[2,3-b]carbazole
CID 170542537
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2,6-diphenylcarbazole
CID 126580254
2-[8-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 139342775

Frequently Asked Questions

What is the IUPAC name of 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole?
The IUPAC name of 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole (CID 167309669) is 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole.
What is the SMILES notation for 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole?
The canonical SMILES for 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole is Cc1ccc(-c2nc(-c3ccc(C)cc3)nc(-n3c4ccccc4c4ccc(-c5ccc6oc7ccc(-c8ccccc8)cc7c6c5)cc43)n2)cc1.
What is the InChIKey of 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole?
The InChIKey is WLOZEMPIPPGNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4O/c1-29-12-16-32(17-13-29)45-48-46(33-18-14-30(2)15-19-33)50-47(49-45)51-41-11-7-6-10-37(41)38-23-20-36(28-42(38)51)35-22-25-44-40(27-35)39-26-34(21-24-43(39)52-44)31-8-4-3-5-9-31/h3-28H,1-2H3.
What are the key properties of 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole?
9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole has a molecular weight of 668.80 g/mol, XLogP of 12.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2-(8-phenyldibenzofuran-2-yl)carbazole is sourced from PubChem (CID 167309669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).