11-[4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]

C59H36N4O — CID 156559742

IUPAC11-[4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4)nc(-c3cccc4c3-c3cc5c6ccccc6n(-c6ccccc6)c5cc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C59H36N4O/c1-3-17-36(18-4-1)56-60-57(42-25-15-20-38-33-37-19-7-8-23-40(37)54(38)42)62-58(61-56)43-26-16-29-48-55(43)45-34-44-41-24-9-12-30-50(41)63(39-21-5-2-6-22-39)51(44)35-49(45)59(48)46-27-10-13-31-52(46)64-53-32-14-11-28-47(53)59/h1-32,34-35H,33H2
InChIKeyUAGHTOVMTZGMTM-UHFFFAOYSA-N
MW816.96 g/mol
LogP14.01
Rot. Bonds4

About 11-[4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]

11-[4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] (PubChem CID 156559742) has the molecular formula C59H36N4O and a molecular weight of 816.96 g/mol. Its IUPAC name is 11-[4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene].

Molecular Properties

Compound Name11-[4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
PubChem CID156559742
Molecular FormulaC59H36N4O
Molecular Weight816.96 g/mol
Exact Mass816.29
IUPAC Name11-[4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
SMILESc1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4)nc(-c3cccc4c3-c3cc5c6ccccc6n(-c6ccccc6)c5cc3C43c4ccccc4Oc4ccccc43)n2)cc1
InChIInChI=1S/C59H36N4O/c1-3-17-36(18-4-1)56-60-57(42-25-15-20-38-33-37-19-7-8-23-40(37)54(38)42)62-58(61-56)43-26-16-29-48-55(43)45-34-44-41-24-9-12-30-50(41)63(39-21-5-2-6-22-39)51(44)35-49(45)59(48)46-27-10-13-31-52(46)64-53-32-14-11-28-47(53)59/h1-32,34-35H,33H2
InChIKeyUAGHTOVMTZGMTM-UHFFFAOYSA-N
XLogP14.01
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.96
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 156559628
9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 154624198
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288850
2-(6-chlorospiro[fluorene-9,9'-xanthene]-4-yl)-4,6-diphenyl-1,3,5-triazine;10,10-dimethyl-12H-indeno[2,1-b]fluorene;5-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 157424213
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 156559689
2-(7-chlorospiro[fluorene-9,9'-xanthene]-4-yl)-4,6-diphenyl-1,3,5-triazine;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,9'-xanthene]-1-yl]carbazole;9H-fluorene
CID 162204009
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
9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 139306362
2',5'-bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288851
methane;9-phenyl-1-[4-phenyl-6-[7-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-2-yl]-1,3,5-triazin-2-yl]carbazole;9-phenyl-2-[4-phenyl-6-[6-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-3-yl]-1,3,5-triazin-2-yl]carbazole;9-phenyl-3-[4-phenyl-6-[6-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]carbazole;9-phenyl-4-[4-phenyl-6-[7-(4-phenylphenyl)spiro[fluorene-9,9'-xanthene]-4-yl]-1,3,5-triazin-2-yl]carbazole
CID 159442688
5-[3-(9-phenylcarbazol-3-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 118880607
3-(9H-fluoren-4-yl)-9-[3-[4-[3-[3-(9H-fluoren-4-yl)carbazol-9-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 162137186

Frequently Asked Questions

What is the IUPAC name of 11-[4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The IUPAC name of 11-[4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] (CID 156559742) is 11-[4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene].
What is the SMILES notation for 11-[4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The canonical SMILES for 11-[4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] is c1ccc(-c2nc(-c3cccc4c3-c3ccccc3C4)nc(-c3cccc4c3-c3cc5c6ccccc6n(-c6ccccc6)c5cc3C43c4ccccc4Oc4ccccc43)n2)cc1.
What is the InChIKey of 11-[4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
The InChIKey is UAGHTOVMTZGMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H36N4O/c1-3-17-36(18-4-1)56-60-57(42-25-15-20-38-33-37-19-7-8-23-40(37)54(38)42)62-58(61-56)43-26-16-29-48-55(43)45-34-44-41-24-9-12-30-50(41)63(39-21-5-2-6-22-39)51(44)35-49(45)59(48)46-27-10-13-31-52(46)64-53-32-14-11-28-47(53)59/h1-32,34-35H,33H2.
What are the key properties of 11-[4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene]?
11-[4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] has a molecular weight of 816.96 g/mol, XLogP of 14.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[4-(9H-fluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylspiro[indeno[2,1-b]carbazole-7,9'-xanthene] is sourced from PubChem (CID 156559742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).