2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine

C64H55N3O — CID 177242641

IUPAC2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1cc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)cc2)c2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C64H55N3O/c1-61(2,3)42-34-48(56-49(35-42)50-36-43(62(4,5)6)37-55(57(50)68-56)63(7,8)9)38-27-29-40(30-28-38)59-65-58(39-19-11-10-12-20-39)66-60(67-59)41-31-32-47-46-23-15-18-26-53(46)64(54(47)33-41)51-24-16-13-21-44(51)45-22-14-17-25-52(45)64/h10-37H,1-9H3
InChIKeyREVPQWVNTQNSAW-UHFFFAOYSA-N
MW882.16 g/mol
LogP16.67
Rot. Bonds4

About 2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine

2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine (PubChem CID 177242641) has the molecular formula C64H55N3O and a molecular weight of 882.16 g/mol. Its IUPAC name is 2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
PubChem CID177242641
Molecular FormulaC64H55N3O
Molecular Weight882.16 g/mol
Exact Mass881.43
IUPAC Name2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
SMILESCC(C)(C)c1cc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)cc2)c2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1
InChIInChI=1S/C64H55N3O/c1-61(2,3)42-34-48(56-49(35-42)50-36-43(62(4,5)6)37-55(57(50)68-56)63(7,8)9)38-27-29-40(30-28-38)59-65-58(39-19-11-10-12-20-39)66-60(67-59)41-31-32-47-46-23-15-18-26-53(46)64(54(47)33-41)51-24-16-13-21-44(51)45-22-14-17-25-52(45)64/h10-37H,1-9H3
InChIKeyREVPQWVNTQNSAW-UHFFFAOYSA-N
XLogP16.67
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.16
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2',7'-bis(2,4,6-tritert-butylphenyl)-9,9'-spirobi[fluorene]-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 168909014
2-[4,6-ditert-butyl-8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 177242613
2-(2-tert-butylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153287761
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
[4-[4-[3-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-2-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
CID 177087811
2-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2'-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 153302504
2-[3-[2,8-ditert-butyl-6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,8-dimethyldibenzofuran-4-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 161396078
2,4-diphenyl-6-[6-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166952589
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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine (CID 177242641) is 2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine is CC(C)(C)c1cc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)n3)cc2)c2oc3c(C(C)(C)C)cc(C(C)(C)C)cc3c2c1.
What is the InChIKey of 2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine?
The InChIKey is REVPQWVNTQNSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H55N3O/c1-61(2,3)42-34-48(56-49(35-42)50-36-43(62(4,5)6)37-55(57(50)68-56)63(7,8)9)38-27-29-40(30-28-38)59-65-58(39-19-11-10-12-20-39)66-60(67-59)41-31-32-47-46-23-15-18-26-53(46)64(54(47)33-41)51-24-16-13-21-44(51)45-22-14-17-25-52(45)64/h10-37H,1-9H3.
What are the key properties of 2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine?
2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine has a molecular weight of 882.16 g/mol, XLogP of 16.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 177242641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).