2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine

C55H38N10 — CID 58233388

IUPAC2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine
SMILESCc1cccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nc(-c6cccc(C)n6)nc(-c6cccc(C)n6)n5)cc43)nc(-c3cccc(C)n3)n2)n1
InChIInChI=1S/C55H38N10/c1-31-13-9-21-45(56-31)51-60-49(61-52(64-51)46-22-10-14-32(2)57-46)35-25-27-39-37-17-5-7-19-41(37)55(43(39)29-35)42-20-8-6-18-38(42)40-28-26-36(30-44(40)55)50-62-53(47-23-11-15-33(3)58-47)65-54(63-50)48-24-12-16-34(4)59-48/h5-30H,1-4H3
InChIKeyNWCQLIBOMNOSSS-UHFFFAOYSA-N
MW838.98 g/mol
LogP11.22
Rot. Bonds6

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

2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine (PubChem CID 58233388) has the molecular formula C55H38N10 and a molecular weight of 838.98 g/mol. Its IUPAC name is 2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine
PubChem CID58233388
Molecular FormulaC55H38N10
Molecular Weight838.98 g/mol
Exact Mass838.33
IUPAC Name2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine
SMILESCc1cccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nc(-c6cccc(C)n6)nc(-c6cccc(C)n6)n5)cc43)nc(-c3cccc(C)n3)n2)n1
InChIInChI=1S/C55H38N10/c1-31-13-9-21-45(56-31)51-60-49(61-52(64-51)46-22-10-14-32(2)57-46)35-25-27-39-37-17-5-7-19-41(37)55(43(39)29-35)42-20-8-6-18-38(42)40-28-26-36(30-44(40)55)50-62-53(47-23-11-15-33(3)58-47)65-54(63-50)48-24-12-16-34(4)59-48/h5-30H,1-4H3
InChIKeyNWCQLIBOMNOSSS-UHFFFAOYSA-N
XLogP11.22
TPSA128.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.98
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine with MolForge

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Related Compounds

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-(9,9'-spirobi[fluorene]-2-yl)-4,6-bis(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 58273816
2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 156513124
2,4-bis(3-phenylphenyl)-6-[3-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146648937
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
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
trimethyl-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]silane
CID 177087878

Frequently Asked Questions

What is the IUPAC name of 2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine?
The IUPAC name of 2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine (CID 58233388) is 2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine.
What is the SMILES notation for 2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine?
The canonical SMILES for 2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine is Cc1cccc(-c2nc(-c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-c4ccc(-c5nc(-c6cccc(C)n6)nc(-c6cccc(C)n6)n5)cc43)nc(-c3cccc(C)n3)n2)n1.
What is the InChIKey of 2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine?
The InChIKey is NWCQLIBOMNOSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H38N10/c1-31-13-9-21-45(56-31)51-60-49(61-52(64-51)46-22-10-14-32(2)57-46)35-25-27-39-37-17-5-7-19-41(37)55(43(39)29-35)42-20-8-6-18-38(42)40-28-26-36(30-44(40)55)50-62-53(47-23-11-15-33(3)58-47)65-54(63-50)48-24-12-16-34(4)59-48/h5-30H,1-4H3.
What are the key properties of 2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine?
2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine has a molecular weight of 838.98 g/mol, XLogP of 11.22, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2'-[4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2-yl]-4,6-bis(6-methyl-2-pyridinyl)-1,3,5-triazine is sourced from PubChem (CID 58233388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).