4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

C55H40N6 — CID 129157187

IUPAC4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(c3)-c3cc(C5=NC(c6ccccc6)NC(c6ccccc6)N5)ccc3C43c4ccccc4-c4ccccc43)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C55H40N6/c1-5-17-35(18-6-1)49-56-50(36-19-7-2-8-20-36)59-53(58-49)39-29-31-47-43(33-39)44-34-40(30-32-48(44)55(47)45-27-15-13-25-41(45)42-26-14-16-28-46(42)55)54-60-51(37-21-9-3-10-22-37)57-52(61-54)38-23-11-4-12-24-38/h1-34,49-50,54,56H,(H,58,59)(H,57,60,61)
InChIKeyQBJXTPIMKHRKAD-UHFFFAOYSA-N
MW784.97 g/mol
LogP10.86
Rot. Bonds6

About 4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 129157187) has the molecular formula C55H40N6 and a molecular weight of 784.97 g/mol. Its IUPAC name is 4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID129157187
Molecular FormulaC55H40N6
Molecular Weight784.97 g/mol
Exact Mass784.33
IUPAC Name4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc4c(c3)-c3cc(C5=NC(c6ccccc6)NC(c6ccccc6)N5)ccc3C43c4ccccc4-c4ccccc43)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C55H40N6/c1-5-17-35(18-6-1)49-56-50(36-19-7-2-8-20-36)59-53(58-49)39-29-31-47-43(33-39)44-34-40(30-32-48(44)55(47)45-27-15-13-25-41(45)42-26-14-16-28-46(42)55)54-60-51(37-21-9-3-10-22-37)57-52(61-54)38-23-11-4-12-24-38/h1-34,49-50,54,56H,(H,58,59)(H,57,60,61)
InChIKeyQBJXTPIMKHRKAD-UHFFFAOYSA-N
XLogP10.86
TPSA73.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.97
LogP ≤ 510.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

2-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100996
2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 152940475
2-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine
CID 174294989
3-[3-[6-[3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)phenyl]-4-phenyl-1,4-dihydro-1,3,5-triazin-2-yl]phenyl]aniline
CID 146495382
2,4,6-tri(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 147530419
4-phenyl-2-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 146321879
10-phenyl-3'-[2-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenyl]spiro[acridine-9,9'-fluorene]
CID 129263303
4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 139400710
2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100994
6-[7-(9,9-dimethylfluoren-4-yl)-9,9-diphenylfluoren-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 126543844
2,4-dinaphthalen-2-yl-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 146334619
6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-2-phenanthren-9-yl-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 142504715

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 129157187) is 4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc4c(c3)-c3cc(C5=NC(c6ccccc6)NC(c6ccccc6)N5)ccc3C43c4ccccc4-c4ccccc43)N=C(c3ccccc3)N2)cc1.
What is the InChIKey of 4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is QBJXTPIMKHRKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40N6/c1-5-17-35(18-6-1)49-56-50(36-19-7-2-8-20-36)59-53(58-49)39-29-31-47-43(33-39)44-34-40(30-32-48(44)55(47)45-27-15-13-25-41(45)42-26-14-16-28-46(42)55)54-60-51(37-21-9-3-10-22-37)57-52(61-54)38-23-11-4-12-24-38/h1-34,49-50,54,56H,(H,58,59)(H,57,60,61).
What are the key properties of 4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 784.97 g/mol, XLogP of 10.86, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-6-yl)-9,9'-spirobi[fluorene]-3-yl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 129157187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).