8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole

C51H34N4O — CID 170153049

IUPAC8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole
SMILESC1=CC2c3cccc(-c4nc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)nc(-c5ccc6oc7ccccc7c6c5)n4)c3N(c3ccccc3)C2C=C1
InChIInChI=1S/C51H34N4O/c1-3-12-33(13-4-1)34-22-24-35(25-23-34)36-26-28-37(29-27-36)49-52-50(38-30-31-47-44(32-38)41-17-8-10-21-46(41)56-47)54-51(53-49)43-19-11-18-42-40-16-7-9-20-45(40)55(48(42)43)39-14-5-2-6-15-39/h1-32,40,45H
InChIKeyVGTRFSZPUHKCPF-UHFFFAOYSA-N
MW718.86 g/mol
LogP12.84
Rot. Bonds6

About 8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole

8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole (PubChem CID 170153049) has the molecular formula C51H34N4O and a molecular weight of 718.86 g/mol. Its IUPAC name is 8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole.

Molecular Properties

Compound Name8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole
PubChem CID170153049
Molecular FormulaC51H34N4O
Molecular Weight718.86 g/mol
Exact Mass718.27
IUPAC Name8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole
SMILESC1=CC2c3cccc(-c4nc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)nc(-c5ccc6oc7ccccc7c6c5)n4)c3N(c3ccccc3)C2C=C1
InChIInChI=1S/C51H34N4O/c1-3-12-33(13-4-1)34-22-24-35(25-23-34)36-26-28-37(29-27-36)49-52-50(38-30-31-47-44(32-38)41-17-8-10-21-46(41)56-47)54-51(53-49)43-19-11-18-42-40-16-7-9-20-45(40)55(48(42)43)39-14-5-2-6-15-39/h1-32,40,45H
InChIKeyVGTRFSZPUHKCPF-UHFFFAOYSA-N
XLogP12.84
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 ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-dibenzofuran-2-yl-8-[3-(3,5-diphenylphenyl)phenyl]-4a,9a-dihydrocarbazole
CID 70956943
5-[8-[4-dibenzofuran-3-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-9-phenyl-4a,9a-dihydrocarbazole
CID 139342404
8-[4-[4-(4-naphthalen-1-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenyl-4a,9a-dihydrocarbazole
CID 159103905
5-[3-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4a,11b-dihydrobenzo[b]carbazole
CID 166918804
9-cyclohexa-1,5-dien-1-yl-8-[6-(4-dibenzofuran-4-yl-6-naphthalen-2-yl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4a,9a-dihydrocarbazole
CID 139342499
N-dibenzofuran-2-yl-11-phenyl-N-(3-phenylphenyl)-6b,10a-dihydrobenzo[a]carbazol-2-amine
CID 175614953
2-[4-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-4-phenyl-6-(2-phenylphenyl)-1,3,5-triazine
CID 164942624
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 176837493
2-(3-dibenzofuran-2-ylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 138729915
2-dibenzofuran-1-yl-4-[4-[4-(3-dibenzofuran-2-ylphenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 163767247
2-dibenzofuran-2-yl-4-(2,3-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 169297262
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 139304573

Frequently Asked Questions

What is the IUPAC name of 8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole?
The IUPAC name of 8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole (CID 170153049) is 8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole.
What is the SMILES notation for 8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole?
The canonical SMILES for 8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole is C1=CC2c3cccc(-c4nc(-c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)nc(-c5ccc6oc7ccccc7c6c5)n4)c3N(c3ccccc3)C2C=C1.
What is the InChIKey of 8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole?
The InChIKey is VGTRFSZPUHKCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4O/c1-3-12-33(13-4-1)34-22-24-35(25-23-34)36-26-28-37(29-27-36)49-52-50(38-30-31-47-44(32-38)41-17-8-10-21-46(41)56-47)54-51(53-49)43-19-11-18-42-40-16-7-9-20-45(40)55(48(42)43)39-14-5-2-6-15-39/h1-32,40,45H.
What are the key properties of 8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole?
8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole has a molecular weight of 718.86 g/mol, XLogP of 12.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-dibenzofuran-2-yl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]-9-phenyl-4a,9a-dihydrocarbazole is sourced from PubChem (CID 170153049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).