2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine

C40H31N3 — CID 167196177

IUPAC2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1cc1ccccc1c2C1=NC(c2ccc(-c3ccccc3)cc2)N=C(c2ccccc2)N1
InChIInChI=1S/C40H31N3/c1-40(2)33-20-12-11-19-32(33)35-34(40)25-30-17-9-10-18-31(30)36(35)39-42-37(28-15-7-4-8-16-28)41-38(43-39)29-23-21-27(22-24-29)26-13-5-3-6-14-26/h3-25,38H,1-2H3,(H,41,42,43)
InChIKeyFIOALRQHDMIRBY-UHFFFAOYSA-N
MW553.71 g/mol
LogP9.31
Rot. Bonds4

About 2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine

2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (PubChem CID 167196177) has the molecular formula C40H31N3 and a molecular weight of 553.71 g/mol. Its IUPAC name is 2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
PubChem CID167196177
Molecular FormulaC40H31N3
Molecular Weight553.71 g/mol
Exact Mass553.25
IUPAC Name2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2c1cc1ccccc1c2C1=NC(c2ccc(-c3ccccc3)cc2)N=C(c2ccccc2)N1
InChIInChI=1S/C40H31N3/c1-40(2)33-20-12-11-19-32(33)35-34(40)25-30-17-9-10-18-31(30)36(35)39-42-37(28-15-7-4-8-16-28)41-38(43-39)29-23-21-27(22-24-29)26-13-5-3-6-14-26/h3-25,38H,1-2H3,(H,41,42,43)
InChIKeyFIOALRQHDMIRBY-UHFFFAOYSA-N
XLogP9.31
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.71
LogP ≤ 59.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170410013
2-(4-cyclohexa-2,4-dien-1-ylphenyl)-6-[11,11-dimethyl-2-[4-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]benzo[b]fluoren-5-yl]-4-phenyl-1,4-dihydro-1,3,5-triazine
CID 167196515
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
4-[2,5-bis(9,9-dimethylfluoren-4-yl)phenyl]-2-naphthalen-1-yl-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 145377617
2-[5-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)naphthalen-1-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 146495104
4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 170410125
5-[4-[4-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]naphthalen-1-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 139314510
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167196535
2-phenyl-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,4-dihydro-1,3,5-triazine
CID 152940475
2,5,8,11-tetrakis(11,11-dimethylbenzo[b]fluoren-5-yl)perylene
CID 58435360
4-(4-phenanthren-9-ylphenyl)-2-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,4-dihydro-1,3,5-triazine
CID 154931849
5-[4-[2-(9,9-dimethylfluoren-4-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazin-4-yl]phenyl]phenanthridin-6-one
CID 126543775

Frequently Asked Questions

What is the IUPAC name of 2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine (CID 167196177) is 2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is CC1(C)c2ccccc2-c2c1cc1ccccc1c2C1=NC(c2ccc(-c3ccccc3)cc2)N=C(c2ccccc2)N1.
What is the InChIKey of 2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
The InChIKey is FIOALRQHDMIRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H31N3/c1-40(2)33-20-12-11-19-32(33)35-34(40)25-30-17-9-10-18-31(30)36(35)39-42-37(28-15-7-4-8-16-28)41-38(43-39)29-23-21-27(22-24-29)26-13-5-3-6-14-26/h3-25,38H,1-2H3,(H,41,42,43).
What are the key properties of 2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine?
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine has a molecular weight of 553.71 g/mol, XLogP of 9.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 167196177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).