2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine

C46H31N3 — CID 152940475

IUPAC2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)N=C(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)N2)cc1
InChIInChI=1S/C46H31N3/c1-3-13-30(14-4-1)31-23-25-33(26-24-31)44-47-43(32-15-5-2-6-16-32)48-45(49-44)34-27-28-38-37-19-9-12-22-41(37)46(42(38)29-34)39-20-10-7-17-35(39)36-18-8-11-21-40(36)46/h1-29,44H,(H,47,48,49)
InChIKeyUMSFHGLLWIGBRC-UHFFFAOYSA-N
MW625.78 g/mol
LogP10.19
Rot. Bonds4

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

2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine (PubChem CID 152940475) has the molecular formula C46H31N3 and a molecular weight of 625.78 g/mol. Its IUPAC name is 2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
PubChem CID152940475
Molecular FormulaC46H31N3
Molecular Weight625.78 g/mol
Exact Mass625.25
IUPAC Name2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)N=C(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)N2)cc1
InChIInChI=1S/C46H31N3/c1-3-13-30(14-4-1)31-23-25-33(26-24-31)44-47-43(32-15-5-2-6-16-32)48-45(49-44)34-27-28-38-37-19-9-12-22-41(37)46(42(38)29-34)39-20-10-7-17-35(39)36-18-8-11-21-40(36)46/h1-29,44H,(H,47,48,49)
InChIKeyUMSFHGLLWIGBRC-UHFFFAOYSA-N
XLogP10.19
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.78
LogP ≤ 510.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4-phenyl-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 142504632
2'-[3-[3-(4,6-diphenyl-1,4-dihydro-1,3,5-triazin-2-yl)phenyl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263428
2-naphthalen-2-yl-6-(4-phenylphenyl)-4-spiro[fluorene-9,9'-xanthene]-2-yl-1,4-dihydro-1,3,5-triazine
CID 146321910
4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 139400710
2-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]spiro[fluorene-9,9'-xanthene]-3-amine
CID 139476231
2-naphthalen-2-yl-6-phenyl-4-(5-phenylspiro[benzo[b]fluorene-11,9'-fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 170412039
2-phenyl-6-(4-phenylphenyl)-4-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,4-dihydropyrimidine
CID 145110825
2,4-diphenyl-6-[3-(7-pyridin-3-ylspiro[fluorene-9,9'-xanthene]-2-yl)phenyl]-1,4-dihydro-1,3,5-triazine
CID 129263235
2'-[3-[2,6-bis(4-fluorophenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 129263672
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
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-[3-(9,9-diphenylfluoren-3-yl)phenyl]-6-phenyl-4-triphenylen-2-yl-1,4-dihydro-1,3,5-triazine
CID 174294989

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine (CID 152940475) is 2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccc(-c4ccccc4)cc3)N=C(c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)N2)cc1.
What is the InChIKey of 2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is UMSFHGLLWIGBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H31N3/c1-3-13-30(14-4-1)31-23-25-33(26-24-31)44-47-43(32-15-5-2-6-16-32)48-45(49-44)34-27-28-38-37-19-9-12-22-41(37)46(42(38)29-34)39-20-10-7-17-35(39)36-18-8-11-21-40(36)46/h1-29,44H,(H,47,48,49).
What are the key properties of 2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine?
2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 625.78 g/mol, XLogP of 10.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 152940475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).