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

C58H37N3 — CID 146187475

IUPAC2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C58H37N3/c1-4-18-38(19-5-1)41-24-16-25-42(36-41)56-59-55(40-22-8-3-9-23-40)60-57(61-56)43-34-35-44(49(37-43)39-20-6-2-7-21-39)47-29-17-33-53-54(47)48-28-12-15-32-52(48)58(53)50-30-13-10-26-45(50)46-27-11-14-31-51(46)58/h1-37H
InChIKeyWCQSQKBKZUBDMA-UHFFFAOYSA-N
MW775.96 g/mol
LogP14.22
Rot. Bonds6

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

2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine (PubChem CID 146187475) has the molecular formula C58H37N3 and a molecular weight of 775.96 g/mol. Its IUPAC name is 2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
PubChem CID146187475
Molecular FormulaC58H37N3
Molecular Weight775.96 g/mol
Exact Mass775.30
IUPAC Name2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C58H37N3/c1-4-18-38(19-5-1)41-24-16-25-42(36-41)56-59-55(40-22-8-3-9-23-40)60-57(61-56)43-34-35-44(49(37-43)39-20-6-2-7-21-39)47-29-17-33-53-54(47)48-28-12-15-32-52(48)58(53)50-30-13-10-26-45(50)46-27-11-14-31-51(46)58/h1-37H
InChIKeyWCQSQKBKZUBDMA-UHFFFAOYSA-N
XLogP14.22
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500775.96
LogP ≤ 514.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 159399001
2-(3-phenylphenyl)-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]-4-yl-1,3,5-triazine
CID 153287675
2-naphthalen-1-yl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146187468
2,4-bis(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]-4-yl-1,3,5-triazine;2-(2-phenylphenyl)-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]-4-yl-1,3,5-triazine;2-(3-phenylphenyl)-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]-4-yl-1,3,5-triazine
CID 159964451
2-phenyl-4-[3-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 139521250
2-(3,5-diphenylphenyl)-4-(3-phenylphenyl)-6-[2-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648936
2,4-diphenyl-6-[3-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]-1,3,5-triazine
CID 154614290
2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-(3-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-ylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-4-ylphenyl)-1,3,5-triazine
CID 158310829
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-phenyl-4-[4-(4-phenylphenyl)phenyl]-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 139521321
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

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine (CID 146187475) is 2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c(-c5ccccc5)c4)n3)c2)cc1.
What is the InChIKey of 2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine?
The InChIKey is WCQSQKBKZUBDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3/c1-4-18-38(19-5-1)41-24-16-25-42(36-41)56-59-55(40-22-8-3-9-23-40)60-57(61-56)43-34-35-44(49(37-43)39-20-6-2-7-21-39)47-29-17-33-53-54(47)48-28-12-15-32-52(48)58(53)50-30-13-10-26-45(50)46-27-11-14-31-51(46)58/h1-37H.
What are the key properties of 2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine?
2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine has a molecular weight of 775.96 g/mol, XLogP of 14.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(3-phenylphenyl)-6-[3-phenyl-4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 146187475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).