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

C53H43N3 — CID 167196535

IUPAC2-(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
SMILESCC1(C)c2ccccc2-c2c1cc1ccccc1c2C1NC(c2cc3c(c4ccccc24)-c2ccccc2C3(C)C)=NC(c2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C53H43N3/c1-52(2)43-25-15-13-23-40(43)47-44(52)30-35-18-8-9-19-36(35)48(47)51-55-49(34-28-26-33(27-29-34)32-16-6-5-7-17-32)54-50(56-51)41-31-45-46(38-21-11-10-20-37(38)41)39-22-12-14-24-42(39)53(45,3)4/h5-31,49,51,55H,1-4H3,(H,54,56)
InChIKeyKBDWEFNXSOBVSN-UHFFFAOYSA-N
MW721.95 g/mol
LogP12.61
Rot. Bonds4

About 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

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 (PubChem CID 167196535) has the molecular formula C53H43N3 and a molecular weight of 721.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID167196535
Molecular FormulaC53H43N3
Molecular Weight721.95 g/mol
Exact Mass721.35
IUPAC Name2-(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
SMILESCC1(C)c2ccccc2-c2c1cc1ccccc1c2C1NC(c2cc3c(c4ccccc24)-c2ccccc2C3(C)C)=NC(c2ccc(-c3ccccc3)cc2)N1
InChIInChI=1S/C53H43N3/c1-52(2)43-25-15-13-23-40(43)47-44(52)30-35-18-8-9-19-36(35)48(47)51-55-49(34-28-26-33(27-29-34)32-16-6-5-7-17-32)54-50(56-51)41-31-45-46(38-21-11-10-20-37(38)41)39-22-12-14-24-42(39)53(45,3)4/h5-31,49,51,55H,1-4H3,(H,54,56)
InChIKeyKBDWEFNXSOBVSN-UHFFFAOYSA-N
XLogP12.61
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.95
LogP ≤ 512.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

2-(2-benzo[a]anthracen-7-ylphenyl)-6-(9,9-dimethylfluoren-4-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 167252922
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
6-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)-2-(4-naphthalen-2-ylphenyl)-4-phenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 142504521
2-(11,11-dimethylbenzo[b]fluoren-5-yl)-6-phenyl-4-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167196177
6-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-2-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099540
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
4-(11,11-dimethyl-5-phenylbenzo[b]fluoren-2-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170410013
7,7-dimethyl-5-(2-phenanthren-9-yl-10-phenylanthracen-9-yl)benzo[c]fluorene
CID 90769656
7-[4-[1-[4-(4,6-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]-9,9-dimethylfluorene-2-carbonitrile
CID 139314232
2-(9,9-diphenylfluoren-4-yl)-6-phenyl-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129100994
4,6-diphenyl-2-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,2,3,4-tetrahydro-1,3,5-triazine
CID 129099120
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2c1cc1ccccc1c2C1NC(c2cc3c(c4ccccc24)-c2ccccc2C3(C)C)=NC(c2ccc(-c3ccccc3)cc2)N1.
What is the InChIKey of 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?
The InChIKey is KBDWEFNXSOBVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43N3/c1-52(2)43-25-15-13-23-40(43)47-44(52)30-35-18-8-9-19-36(35)48(47)51-55-49(34-28-26-33(27-29-34)32-16-6-5-7-17-32)54-50(56-51)41-31-45-46(38-21-11-10-20-37(38)41)39-22-12-14-24-42(39)53(45,3)4/h5-31,49,51,55H,1-4H3,(H,54,56).
What are the key properties of 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?
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 has a molecular weight of 721.95 g/mol, XLogP of 12.61, 4 rotatable bonds, 2 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-(7,7-dimethylbenzo[c]fluoren-5-yl)-4-(4-phenylphenyl)-1,2,3,4-tetrahydro-1,3,5-triazine is sourced from PubChem (CID 167196535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).