2-[6'-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-4-methyl-6-phenyl-1,3,5-triazine

C54H38N4O — CID 167364335

IUPAC2-[6'-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-4-methyl-6-phenyl-1,3,5-triazine
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)Oc4ccc(-c6nc(C)nc(-c7ccccc7)n6)cc4C54c5ccccc5-c5ccccc54)cc3)cc2)c(C)n1
InChIInChI=1S/C54H38N4O/c1-33-17-28-43(34(2)55-33)39-24-22-37(23-25-39)36-18-20-38(21-19-36)41-26-29-48-51(32-41)59-50-30-27-42(53-57-35(3)56-52(58-53)40-11-5-4-6-12-40)31-49(50)54(48)46-15-9-7-13-44(46)45-14-8-10-16-47(45)54/h4-32H,1-3H3
InChIKeyCBZDZVCMEQPHJW-UHFFFAOYSA-N
MW758.93 g/mol
LogP13.00
Rot. Bonds5

About 2-[6'-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-4-methyl-6-phenyl-1,3,5-triazine

2-[6'-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-4-methyl-6-phenyl-1,3,5-triazine (PubChem CID 167364335) has the molecular formula C54H38N4O and a molecular weight of 758.93 g/mol. Its IUPAC name is 2-[6'-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-4-methyl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[6'-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-4-methyl-6-phenyl-1,3,5-triazine
PubChem CID167364335
Molecular FormulaC54H38N4O
Molecular Weight758.93 g/mol
Exact Mass758.30
IUPAC Name2-[6'-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-4-methyl-6-phenyl-1,3,5-triazine
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)Oc4ccc(-c6nc(C)nc(-c7ccccc7)n6)cc4C54c5ccccc5-c5ccccc54)cc3)cc2)c(C)n1
InChIInChI=1S/C54H38N4O/c1-33-17-28-43(34(2)55-33)39-24-22-37(23-25-39)36-18-20-38(21-19-36)41-26-29-48-51(32-41)59-50-30-27-42(53-57-35(3)56-52(58-53)40-11-5-4-6-12-40)31-49(50)54(48)46-15-9-7-13-44(46)45-14-8-10-16-47(45)54/h4-32H,1-3H3
InChIKeyCBZDZVCMEQPHJW-UHFFFAOYSA-N
XLogP13.00
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.93
LogP ≤ 513.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 156513124
2-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 139521262
2-(9,9-dimethylfluoren-2-yl)-4-phenyl-6-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)-1,3,5-triazine
CID 140947408
2-[3-[6'-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-2-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]spiro[fluorene-9,9'-xanthene]-2'-yl]phenyl]-4-phenyl-6-[2-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-3'-yl]-1,3,5-triazine
CID 166650929
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine
CID 139521184
4-phenyl-6-(4-phenylphenyl)-2-[4-[6'-[4-[6-phenyl-2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)pyrimidin-4-yl]phenyl]spiro[fluorene-9,9'-xanthene]-3'-yl]phenyl]pyrimidine
CID 155305190
4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-2-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)pyrimidine
CID 156513034
2-phenyl-4-(3-phenylphenyl)-6-spiro[tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene-14,9'-xanthene]-11-yl-1,3,5-triazine
CID 134571369
2,4-diphenyl-6-(4-spiro[fluorene-9,9'-xanthene]-2'-ylphenyl)pyrimidine
CID 130379698
2-(2-phenylphenyl)-4,6-di(spiro[fluorene-9,9'-xanthene]-2'-yl)-1,3,5-triazine
CID 174271533
2,4-diphenyl-6-[2-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[2-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(3-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-(4-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(2-spiro[fluorene-9,9'-xanthene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 160865421
2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2,4-diphenyl-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2'-yl-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-4'-yl-1,3,5-triazine
CID 160749645

Frequently Asked Questions

What is the IUPAC name of 2-[6'-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-4-methyl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-[6'-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-4-methyl-6-phenyl-1,3,5-triazine (CID 167364335) is 2-[6'-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-4-methyl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-[6'-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-4-methyl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-[6'-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-4-methyl-6-phenyl-1,3,5-triazine is Cc1ccc(-c2ccc(-c3ccc(-c4ccc5c(c4)Oc4ccc(-c6nc(C)nc(-c7ccccc7)n6)cc4C54c5ccccc5-c5ccccc54)cc3)cc2)c(C)n1.
What is the InChIKey of 2-[6'-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-4-methyl-6-phenyl-1,3,5-triazine?
The InChIKey is CBZDZVCMEQPHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H38N4O/c1-33-17-28-43(34(2)55-33)39-24-22-37(23-25-39)36-18-20-38(21-19-36)41-26-29-48-51(32-41)59-50-30-27-42(53-57-35(3)56-52(58-53)40-11-5-4-6-12-40)31-49(50)54(48)46-15-9-7-13-44(46)45-14-8-10-16-47(45)54/h4-32H,1-3H3.
What are the key properties of 2-[6'-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-4-methyl-6-phenyl-1,3,5-triazine?
2-[6'-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-4-methyl-6-phenyl-1,3,5-triazine has a molecular weight of 758.93 g/mol, XLogP of 13.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6'-[4-[4-(2,6-dimethyl-3-pyridinyl)phenyl]phenyl]spiro[fluorene-9,9'-xanthene]-2'-yl]-4-methyl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 167364335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).