2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine

C51H32N4 — CID 146632433

IUPAC2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)nc4)nc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)n3)cc2)cc1
InChIInChI=1S/C51H32N4/c1-3-13-33(14-4-1)34-23-25-36(26-24-34)48-53-49(55-50(54-48)38-28-30-47(52-32-38)35-15-5-2-6-16-35)37-27-29-46-42(31-37)41-19-9-12-22-45(41)51(46)43-20-10-7-17-39(43)40-18-8-11-21-44(40)51/h1-32H
InChIKeyOCEQGSFUFDVQGP-UHFFFAOYSA-N
MW700.85 g/mol
LogP11.95
Rot. Bonds5

About 2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine

2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine (PubChem CID 146632433) has the molecular formula C51H32N4 and a molecular weight of 700.85 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
PubChem CID146632433
Molecular FormulaC51H32N4
Molecular Weight700.85 g/mol
Exact Mass700.26
IUPAC Name2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)nc4)nc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)n3)cc2)cc1
InChIInChI=1S/C51H32N4/c1-3-13-33(14-4-1)34-23-25-36(26-24-34)48-53-49(55-50(54-48)38-28-30-47(52-32-38)35-15-5-2-6-16-35)37-27-29-46-42(31-37)41-19-9-12-22-45(41)51(46)43-20-10-7-17-39(43)40-18-8-11-21-44(40)51/h1-32H
InChIKeyOCEQGSFUFDVQGP-UHFFFAOYSA-N
XLogP11.95
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500700.85
LogP ≤ 511.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 146633338
2,4-diphenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 130261102
2-(3,5-diphenylphenyl)-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-yl-1,3,5-triazine
CID 153288047
4-phenyl-6-(4-phenylphenyl)-2-[4-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]phenyl]pyrimidine
CID 167344509
2-(4-methylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 171844757
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 142504737
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
CID 139521138
CID 139521138
2-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 58273816
4-(3,5-diphenylphenyl)-6-phenyl-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 153287775
4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 153288092
2-phenyl-4-(6-phenyl-3-pyridinyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]pyrimidine
CID 146632584

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine?
The IUPAC name of 2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine (CID 146632433) is 2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine?
The canonical SMILES for 2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)nc4)nc(-c4ccc5c(c4)-c4ccccc4C54c5ccccc5-c5ccccc54)n3)cc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine?
The InChIKey is OCEQGSFUFDVQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H32N4/c1-3-13-33(14-4-1)34-23-25-36(26-24-34)48-53-49(55-50(54-48)38-28-30-47(52-32-38)35-15-5-2-6-16-35)37-27-29-46-42(31-37)41-19-9-12-22-45(41)51(46)43-20-10-7-17-39(43)40-18-8-11-21-44(40)51/h1-32H.
What are the key properties of 2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine?
2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine has a molecular weight of 700.85 g/mol, XLogP of 11.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-4-(6-phenyl-3-pyridinyl)-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine is sourced from PubChem (CID 146632433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).