20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene]

C56H34N4O — CID 156559691

IUPAC20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc5c6ccc7ccccc7c6n(-c6ccccc6)c5cc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C56H34N4O/c1-4-17-36(18-5-1)53-57-54(37-19-6-2-7-20-37)59-55(58-53)38-29-31-45-42(32-38)43-33-44-41-30-28-35-16-10-11-23-40(35)52(41)60(39-21-8-3-9-22-39)49(44)34-48(43)56(45)46-24-12-14-26-50(46)61-51-27-15-13-25-47(51)56/h1-34H
InChIKeyLHZVUMJHCGQFLQ-UHFFFAOYSA-N
MW778.92 g/mol
LogP13.59
Rot. Bonds4

About 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene]

20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene] (PubChem CID 156559691) has the molecular formula C56H34N4O and a molecular weight of 778.92 g/mol. Its IUPAC name is 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene].

Molecular Properties

Compound Name20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene]
PubChem CID156559691
Molecular FormulaC56H34N4O
Molecular Weight778.92 g/mol
Exact Mass778.27
IUPAC Name20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene]
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc5c6ccc7ccccc7c6n(-c6ccccc6)c5cc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C56H34N4O/c1-4-17-36(18-5-1)53-57-54(37-19-6-2-7-20-37)59-55(58-53)38-29-31-45-42(32-38)43-33-44-41-30-28-35-16-10-11-23-40(35)52(41)60(39-21-8-3-9-22-39)49(44)34-48(43)56(45)46-24-12-14-26-50(46)61-51-27-15-13-25-47(51)56/h1-34H
InChIKeyLHZVUMJHCGQFLQ-UHFFFAOYSA-N
XLogP13.59
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.92
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene] with MolForge

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Related Compounds

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 156559689
12-phenyl-10-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[indeno[1,2-a]carbazole-7,9'-xanthene]
CID 156559750
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288850
2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166650803
11-phenyl-8-spiro[fluorene-9,9'-xanthene]-2'-ylbenzo[a]carbazole
CID 170037885
25-(4,6-diphenyl-2-pyridinyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(2,6-diphenylpyrimidin-4-yl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]
CID 158015915
25-dibenzofuran-2-ylspiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-dibenzofuran-3-ylspiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-(4-naphthalen-2-ylphenyl)spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene];25-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[4-oxa-25-azahexacyclo[12.11.0.03,12.05,10.015,24.018,23]pentacosa-1,3(12),5,7,9,13,15(24),16,18,20,22-undecaene-11,9'-fluorene]
CID 159858787
15-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[5,15-diazaheptacyclo[14.11.0.02,14.04,12.06,11.017,25.018,23]heptacosa-1(16),2(14),3,6,8,10,12,17(25),18,20,22,26-dodecaene-24,9'-xanthene]
CID 163986204
2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 153297866
2,4-diphenyl-6-[6-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazine
CID 154596947
2-naphthalen-1-yl-4-phenyl-6-spiro[hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17,19,21-dodecaene-23,9'-xanthene]-3'-yl-1,3,5-triazine
CID 163697005
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362

Frequently Asked Questions

What is the IUPAC name of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene]?
The IUPAC name of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene] (CID 156559691) is 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene].
What is the SMILES notation for 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene]?
The canonical SMILES for 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene] is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)-c3cc5c6ccc7ccccc7c6n(-c6ccccc6)c5cc3C43c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene]?
The InChIKey is LHZVUMJHCGQFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4O/c1-4-17-36(18-5-1)53-57-54(37-19-6-2-7-20-37)59-55(58-53)38-29-31-45-42(32-38)43-33-44-41-30-28-35-16-10-11-23-40(35)52(41)60(39-21-8-3-9-22-39)49(44)34-48(43)56(45)46-24-12-14-26-50(46)61-51-27-15-13-25-47(51)56/h1-34H.
What are the key properties of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene]?
20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene] has a molecular weight of 778.92 g/mol, XLogP of 13.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-phenylspiro[12-azahexacyclo[11.11.0.02,11.05,10.015,23.017,22]tetracosa-1(24),2(11),3,5,7,9,13,15(23),17(22),18,20-undecaene-16,9'-xanthene] is sourced from PubChem (CID 156559691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).