19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,3-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17(22),18,20-undecaene-16,9'-fluorene]

C55H33N5 — CID 169220562

IUPAC19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,3-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17(22),18,20-undecaene-16,9'-fluorene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccc6cccc7c6c4N5c4ncccc4-7)cc3)n2)cc1
InChIInChI=1S/C55H33N5/c1-3-13-36(14-4-1)51-57-52(37-15-5-2-6-16-37)59-53(58-51)38-26-24-34(25-27-38)39-29-31-48-47(33-39)55(44-22-9-7-18-40(44)41-19-8-10-23-45(41)55)46-30-28-35-17-11-20-42-43-21-12-32-56-54(43)60(48)50(46)49(35)42/h1-33H
InChIKeyJWUHDBFGFZGWSE-UHFFFAOYSA-N
MW763.90 g/mol
LogP13.21
Rot. Bonds4

About 19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,3-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17(22),18,20-undecaene-16,9'-fluorene]

19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,3-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17(22),18,20-undecaene-16,9'-fluorene] (PubChem CID 169220562) has the molecular formula C55H33N5 and a molecular weight of 763.90 g/mol. Its IUPAC name is 19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,3-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17(22),18,20-undecaene-16,9'-fluorene].

Molecular Properties

Compound Name19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,3-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17(22),18,20-undecaene-16,9'-fluorene]
PubChem CID169220562
Molecular FormulaC55H33N5
Molecular Weight763.90 g/mol
Exact Mass763.27
IUPAC Name19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,3-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17(22),18,20-undecaene-16,9'-fluorene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccc6cccc7c6c4N5c4ncccc4-7)cc3)n2)cc1
InChIInChI=1S/C55H33N5/c1-3-13-36(14-4-1)51-57-52(37-15-5-2-6-16-37)59-53(58-51)38-26-24-34(25-27-38)39-29-31-48-47(33-39)55(44-22-9-7-18-40(44)41-19-8-10-23-45(41)55)46-30-28-35-17-11-20-42-43-21-12-32-56-54(43)60(48)50(46)49(35)42/h1-33H
InChIKeyJWUHDBFGFZGWSE-UHFFFAOYSA-N
XLogP13.21
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.90
LogP ≤ 513.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,3-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17(22),18,20-undecaene-16,9'-fluorene] with MolForge

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Related Compounds

2-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-10-phenylspiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene];10-phenyl-2-[3-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[acridine-9,9'-fluorene]
CID 158956061
CID 139521138
CID 139521138
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-10-phenylspiro[acridine-9,9'-fluorene]
CID 146495790
8-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 167359606
2,4-diphenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-yl-1,3,5-triazine
CID 149015479
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146649010
CID 158278496
CID 158278496
CID 139521142
CID 139521142
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
2,4-diphenyl-6-(2-phenylspiro[fluorene-9,11'-hexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2,4(12),5,7,9,13,15,17,19(23),20-undecaene]-3'-yl)-1,3,5-triazine
CID 166026039
2-(3,5-diphenylphenyl)-4-phenyl-6-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-3-yl-1,3,5-triazine
CID 153357827

Frequently Asked Questions

What is the IUPAC name of 19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,3-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17(22),18,20-undecaene-16,9'-fluorene]?
The IUPAC name of 19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,3-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17(22),18,20-undecaene-16,9'-fluorene] (CID 169220562) is 19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,3-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17(22),18,20-undecaene-16,9'-fluorene].
What is the SMILES notation for 19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,3-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17(22),18,20-undecaene-16,9'-fluorene]?
The canonical SMILES for 19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,3-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17(22),18,20-undecaene-16,9'-fluorene] is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccc6cccc7c6c4N5c4ncccc4-7)cc3)n2)cc1.
What is the InChIKey of 19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,3-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17(22),18,20-undecaene-16,9'-fluorene]?
The InChIKey is JWUHDBFGFZGWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N5/c1-3-13-36(14-4-1)51-57-52(37-15-5-2-6-16-37)59-53(58-51)38-26-24-34(25-27-38)39-29-31-48-47(33-39)55(44-22-9-7-18-40(44)41-19-8-10-23-45(41)55)46-30-28-35-17-11-20-42-43-21-12-32-56-54(43)60(48)50(46)49(35)42/h1-33H.
What are the key properties of 19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,3-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17(22),18,20-undecaene-16,9'-fluorene]?
19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,3-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17(22),18,20-undecaene-16,9'-fluorene] has a molecular weight of 763.90 g/mol, XLogP of 13.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 19-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[1,3-diazahexacyclo[10.10.2.02,7.08,24.015,23.017,22]tetracosa-2(7),3,5,8,10,12(24),13,15(23),17(22),18,20-undecaene-16,9'-fluorene] is sourced from PubChem (CID 169220562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).