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

C56H41N3 — CID 90706783

IUPAC2-[7'-(3,4-diphenylbutan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1-2)C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C56H41N3/c1-37(48(39-20-8-3-9-21-39)34-38-18-6-2-7-19-38)42-30-32-46-47-33-31-43(55-58-53(40-22-10-4-11-23-40)57-54(59-55)41-24-12-5-13-25-41)36-52(47)56(51(46)35-42)49-28-16-14-26-44(49)45-27-15-17-29-50(45)56/h2-33,35-37,48H,34H2,1H3
InChIKeyJVJOJSGGLNWEBF-UHFFFAOYSA-N
MW755.97 g/mol
LogP13.35
Rot. Bonds8

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

2-[7'-(3,4-diphenylbutan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 90706783) has the molecular formula C56H41N3 and a molecular weight of 755.97 g/mol. Its IUPAC name is 2-[7'-(3,4-diphenylbutan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[7'-(3,4-diphenylbutan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID90706783
Molecular FormulaC56H41N3
Molecular Weight755.97 g/mol
Exact Mass755.33
IUPAC Name2-[7'-(3,4-diphenylbutan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1-2)C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C56H41N3/c1-37(48(39-20-8-3-9-21-39)34-38-18-6-2-7-19-38)42-30-32-46-47-33-31-43(55-58-53(40-22-10-4-11-23-40)57-54(59-55)41-24-12-5-13-25-41)36-52(47)56(51(46)35-42)49-28-16-14-26-44(49)45-27-15-17-29-50(45)56/h2-33,35-37,48H,34H2,1H3
InChIKeyJVJOJSGGLNWEBF-UHFFFAOYSA-N
XLogP13.35
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.97
LogP ≤ 513.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[4-(1,2-diphenylethyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]-N,N-diphenylaniline
CID 123435788
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-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-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-[4-[3-(3-phenylphenyl)phenyl]phenyl]-4-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-6-[4-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230238
2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 161036393
2-[3-(3-phenylphenyl)phenyl]-4-[4-[3-(3-phenylphenyl)phenyl]phenyl]-6-[3-[3-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230309
2-[3-(3-phenylphenyl)phenyl]-4-[4-(3-phenylphenyl)phenyl]-6-[3-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230102
2-[4-(3-phenylphenyl)phenyl]-4-[3-[3-(3-phenylphenyl)phenyl]phenyl]-6-[4-[3-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine
CID 167230136
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 139521321

Frequently Asked Questions

What is the IUPAC name of 2-[7'-(3,4-diphenylbutan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[7'-(3,4-diphenylbutan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine (CID 90706783) is 2-[7'-(3,4-diphenylbutan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[7'-(3,4-diphenylbutan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[7'-(3,4-diphenylbutan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine is CC(c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)ccc1-2)C(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-[7'-(3,4-diphenylbutan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is JVJOJSGGLNWEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H41N3/c1-37(48(39-20-8-3-9-21-39)34-38-18-6-2-7-19-38)42-30-32-46-47-33-31-43(55-58-53(40-22-10-4-11-23-40)57-54(59-55)41-24-12-5-13-25-41)36-52(47)56(51(46)35-42)49-28-16-14-26-44(49)45-27-15-17-29-50(45)56/h2-33,35-37,48H,34H2,1H3.
What are the key properties of 2-[7'-(3,4-diphenylbutan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine?
2-[7'-(3,4-diphenylbutan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 755.97 g/mol, XLogP of 13.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7'-(3,4-diphenylbutan-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 90706783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).