4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

C46H35N3 — CID 170410125

IUPAC4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESCC1(C)c2cc(-c3cccc(C4N=C(c5ccccc5)NC(c5ccccc5)=N4)c3)ccc2-c2c(-c3ccccc3)cc3ccccc3c21
InChIInChI=1S/C46H35N3/c1-46(2)40-29-34(25-26-38(40)41-39(30-15-6-3-7-16-30)28-35-21-12-13-24-37(35)42(41)46)33-22-14-23-36(27-33)45-48-43(31-17-8-4-9-18-31)47-44(49-45)32-19-10-5-11-20-32/h3-29,45H,1-2H3,(H,47,48,49)
InChIKeyAVVMFDYQNTUVOO-UHFFFAOYSA-N
MW629.81 g/mol
LogP10.98
Rot. Bonds5

About 4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine

4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 170410125) has the molecular formula C46H35N3 and a molecular weight of 629.81 g/mol. Its IUPAC name is 4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID170410125
Molecular FormulaC46H35N3
Molecular Weight629.81 g/mol
Exact Mass629.28
IUPAC Name4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESCC1(C)c2cc(-c3cccc(C4N=C(c5ccccc5)NC(c5ccccc5)=N4)c3)ccc2-c2c(-c3ccccc3)cc3ccccc3c21
InChIInChI=1S/C46H35N3/c1-46(2)40-29-34(25-26-38(40)41-39(30-15-6-3-7-16-30)28-35-21-12-13-24-37(35)42(41)46)33-22-14-23-36(27-33)45-48-43(31-17-8-4-9-18-31)47-44(49-45)32-19-10-5-11-20-32/h3-29,45H,1-2H3,(H,47,48,49)
InChIKeyAVVMFDYQNTUVOO-UHFFFAOYSA-N
XLogP10.98
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.81
LogP ≤ 510.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine with MolForge

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Related Compounds

2-[4-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 170410069
2-[4-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-4,6-diphenylpyrimidine
CID 170410073
4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170410013
N-[4-(11,11-dimethyl-9-phenylbenzo[a]fluoren-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 170373595
4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-2,6-diphenyl-1,2-dihydro-1,3,5-triazine
CID 170411210
4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)-1,6-dihydropyrimidine
CID 170410128
[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylbenzo[a]fluoren-9-yl]phosphane
CID 165152031
4-(11,11-dimethyl-6-naphthalen-2-ylbenzo[a]fluoren-9-yl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 170411240
2-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 165152188
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167196177
4-[4-(11,11-dimethylbenzo[a]fluoren-6-yl)phenyl]-2,6-bis(3-phenylphenyl)pyrimidine
CID 165152263
4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 139400710

Frequently Asked Questions

What is the IUPAC name of 4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 170410125) is 4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is CC1(C)c2cc(-c3cccc(C4N=C(c5ccccc5)NC(c5ccccc5)=N4)c3)ccc2-c2c(-c3ccccc3)cc3ccccc3c21.
What is the InChIKey of 4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is AVVMFDYQNTUVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H35N3/c1-46(2)40-29-34(25-26-38(40)41-39(30-15-6-3-7-16-30)28-35-21-12-13-24-37(35)42(41)46)33-22-14-23-36(27-33)45-48-43(31-17-8-4-9-18-31)47-44(49-45)32-19-10-5-11-20-32/h3-29,45H,1-2H3,(H,47,48,49).
What are the key properties of 4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine?
4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 629.81 g/mol, XLogP of 10.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(11,11-dimethyl-6-phenylbenzo[a]fluoren-9-yl)phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 170410125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).