2-[8-methyl-10-(9,9'-spirobi[fluorene]-2-yl)-7,8-dihydrophenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine

C55H37N3 — CID 166656832

IUPAC2-[8-methyl-10-(9,9'-spirobi[fluorene]-2-yl)-7,8-dihydrophenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1CC=Cc2c1c(-c1nc(-c3ccccc3)nc(-c3ccccc3)n1)c(-c1ccc3c(c1)C1(c4ccccc4-c4ccccc41)c1ccccc1-3)c1ccccc21
InChIInChI=1S/C55H37N3/c1-34-17-16-27-43-38-22-8-9-26-44(38)50(51(49(34)43)54-57-52(35-18-4-2-5-19-35)56-53(58-54)36-20-6-3-7-21-36)37-31-32-42-41-25-12-15-30-47(41)55(48(42)33-37)45-28-13-10-23-39(45)40-24-11-14-29-46(40)55/h2-16,18-34H,17H2,1H3
InChIKeyXQMHIGPELBRJSX-UHFFFAOYSA-N
MW739.92 g/mol
LogP13.56
Rot. Bonds4

About 2-[8-methyl-10-(9,9'-spirobi[fluorene]-2-yl)-7,8-dihydrophenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine

2-[8-methyl-10-(9,9'-spirobi[fluorene]-2-yl)-7,8-dihydrophenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 166656832) has the molecular formula C55H37N3 and a molecular weight of 739.92 g/mol. Its IUPAC name is 2-[8-methyl-10-(9,9'-spirobi[fluorene]-2-yl)-7,8-dihydrophenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-methyl-10-(9,9'-spirobi[fluorene]-2-yl)-7,8-dihydrophenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID166656832
Molecular FormulaC55H37N3
Molecular Weight739.92 g/mol
Exact Mass739.30
IUPAC Name2-[8-methyl-10-(9,9'-spirobi[fluorene]-2-yl)-7,8-dihydrophenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC1CC=Cc2c1c(-c1nc(-c3ccccc3)nc(-c3ccccc3)n1)c(-c1ccc3c(c1)C1(c4ccccc4-c4ccccc41)c1ccccc1-3)c1ccccc21
InChIInChI=1S/C55H37N3/c1-34-17-16-27-43-38-22-8-9-26-44(38)50(51(49(34)43)54-57-52(35-18-4-2-5-19-35)56-53(58-54)36-20-6-3-7-21-36)37-31-32-42-41-25-12-15-30-47(41)55(48(42)33-37)45-28-13-10-23-39(45)40-24-11-14-29-46(40)55/h2-16,18-34H,17H2,1H3
InChIKeyXQMHIGPELBRJSX-UHFFFAOYSA-N
XLogP13.56
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500739.92
LogP ≤ 513.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 129150894
2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 118426846
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 153302504
2-cyclohexa-1,5-dien-1-yl-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-6-phenyl-1,3,5-triazine
CID 145390974
2'-(10-phenylanthracen-9-yl)-7'-[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174877
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
CID 146778446
2-(5-naphthalen-1-ylnaphthalen-1-yl)-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 176587539
CID 166995561
CID 166995561
2-phenyl-4-(2-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 167177813
2-(5-methylcyclodeca-1,3,5,7,9-pentaen-1-yl)-4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 139376539
2-naphthalen-1-yl-4-phenyl-6-[2-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 146648554
2',7'-bis[4-(10-phenylanthracen-9-yl)phenyl]-9,9'-spirobi[fluorene]
CID 58174873

Frequently Asked Questions

What is the IUPAC name of 2-[8-methyl-10-(9,9'-spirobi[fluorene]-2-yl)-7,8-dihydrophenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[8-methyl-10-(9,9'-spirobi[fluorene]-2-yl)-7,8-dihydrophenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine (CID 166656832) is 2-[8-methyl-10-(9,9'-spirobi[fluorene]-2-yl)-7,8-dihydrophenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[8-methyl-10-(9,9'-spirobi[fluorene]-2-yl)-7,8-dihydrophenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[8-methyl-10-(9,9'-spirobi[fluorene]-2-yl)-7,8-dihydrophenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine is CC1CC=Cc2c1c(-c1nc(-c3ccccc3)nc(-c3ccccc3)n1)c(-c1ccc3c(c1)C1(c4ccccc4-c4ccccc41)c1ccccc1-3)c1ccccc21.
What is the InChIKey of 2-[8-methyl-10-(9,9'-spirobi[fluorene]-2-yl)-7,8-dihydrophenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is XQMHIGPELBRJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H37N3/c1-34-17-16-27-43-38-22-8-9-26-44(38)50(51(49(34)43)54-57-52(35-18-4-2-5-19-35)56-53(58-54)36-20-6-3-7-21-36)37-31-32-42-41-25-12-15-30-47(41)55(48(42)33-37)45-28-13-10-23-39(45)40-24-11-14-29-46(40)55/h2-16,18-34H,17H2,1H3.
What are the key properties of 2-[8-methyl-10-(9,9'-spirobi[fluorene]-2-yl)-7,8-dihydrophenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine?
2-[8-methyl-10-(9,9'-spirobi[fluorene]-2-yl)-7,8-dihydrophenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 739.92 g/mol, XLogP of 13.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-methyl-10-(9,9'-spirobi[fluorene]-2-yl)-7,8-dihydrophenanthren-9-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 166656832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).