9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole

C51H34N4O — CID 166668356

IUPAC9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole
SMILESC1=CCC2C(=C1)N(c1cccc3oc4cc(-c5nc(-c6cccc(-c7ccccc7)c6)nc(-c6cccc(-c7ccccc7)c6)n5)ccc4c13)c1ccccc12
InChIInChI=1S/C51H34N4O/c1-3-14-33(15-4-1)35-18-11-20-37(30-35)49-52-50(38-21-12-19-36(31-38)34-16-5-2-6-17-34)54-51(53-49)39-28-29-42-47(32-39)56-46-27-13-26-45(48(42)46)55-43-24-9-7-22-40(43)41-23-8-10-25-44(41)55/h1-22,24-32,41H,23H2
InChIKeyZYGZYALNDDJFMT-UHFFFAOYSA-N
MW718.86 g/mol
LogP13.19
Rot. Bonds6

About 9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole

9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole (PubChem CID 166668356) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole.

Molecular Properties

Compound Name9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole
PubChem CID166668356
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole
SMILESC1=CCC2C(=C1)N(c1cccc3oc4cc(-c5nc(-c6cccc(-c7ccccc7)c6)nc(-c6cccc(-c7ccccc7)c6)n5)ccc4c13)c1ccccc12
InChIInChI=1S/C51H34N4O/c1-3-14-33(15-4-1)35-18-11-20-37(30-35)49-52-50(38-21-12-19-36(31-38)34-16-5-2-6-17-34)54-51(53-49)39-28-29-42-47(32-39)56-46-27-13-26-45(48(42)46)55-43-24-9-7-22-40(43)41-23-8-10-25-44(41)55/h1-22,24-32,41H,23H2
InChIKeyZYGZYALNDDJFMT-UHFFFAOYSA-N
XLogP13.19
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-8-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-1,12c-dihydro-[1]benzofuro[3,2-c]carbazole
CID 174370064
2-(3-naphthalen-2-ylphenyl)-4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797575
2-dibenzofuran-3-yl-4-(3-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850239
2-(6-phenylnaphthalen-2-yl)-4-(3-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797808
9-(7-phenyldibenzofuran-1-yl)-3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]carbazole
CID 170080580
2-naphthalen-2-yl-4-phenyl-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 177273064
2-(3-naphthalen-2-ylphenyl)-4-phenyl-6-[9-[3-(4-phenylphenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164798209
2-(4-naphthalen-2-ylphenyl)-4-(4-phenylphenyl)-6-[9-(3-phenylphenyl)dibenzofuran-3-yl]-1,3,5-triazine
CID 164797715
10-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-9,9-dimethylacridine
CID 157278592
2-(4-dibenzofuran-3-ylphenyl)-4-phenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425264
2-dibenzofuran-3-yl-4-(4-dibenzofuran-3-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850143
2-dibenzofuran-3-yl-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 138625817

Frequently Asked Questions

What is the IUPAC name of 9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole?
The IUPAC name of 9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole (CID 166668356) is 9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole.
What is the SMILES notation for 9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole?
The canonical SMILES for 9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole is C1=CCC2C(=C1)N(c1cccc3oc4cc(-c5nc(-c6cccc(-c7ccccc7)c6)nc(-c6cccc(-c7ccccc7)c6)n5)ccc4c13)c1ccccc12.
What is the InChIKey of 9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole?
The InChIKey is ZYGZYALNDDJFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-3-14-33(15-4-1)35-18-11-20-37(30-35)49-52-50(38-21-12-19-36(31-38)34-16-5-2-6-17-34)54-51(53-49)39-28-29-42-47(32-39)56-46-27-13-26-45(48(42)46)55-43-24-9-7-22-40(43)41-23-8-10-25-44(41)55/h1-22,24-32,41H,23H2.
What are the key properties of 9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole?
9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole has a molecular weight of 718.86 g/mol, XLogP of 13.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[7-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-4,4a-dihydrocarbazole is sourced from PubChem (CID 166668356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).