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

C123H82ClN7O2 — CID 157424213

IUPAC2-(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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)Cc1ccccc1-3.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)-c4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc4C54c5ccccc5Oc5ccccc54)c3cc21.Clc1ccc2c(c1)-c1c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc1C21c2ccccc2Oc2ccccc21
InChIInChI=1S/C61H40N4O.C40H24ClN3O.C22H18/c1-60(2)46-25-11-9-22-40(46)43-35-44-41-23-10-14-29-52(41)65(53(44)36-51(43)60)39-32-33-47-45(34-39)56-42(59-63-57(37-18-5-3-6-19-37)62-58(64-59)38-20-7-4-8-21-38)24-17-28-50(56)61(47)48-26-12-15-30-54(48)66-55-31-16-13-27-49(55)61;41-27-22-23-30-29(24-27)36-28(39-43-37(25-12-3-1-4-13-25)42-38(44-39)26-14-5-2-6-15-26)16-11-19-33(36)40(30)31-17-7-9-20-34(31)45-35-21-10-8-18-32(35)40;1-22(2)20-10-6-5-9-17(20)19-13-18-15(12-21(19)22)11-14-7-3-4-8-16(14)18/h3-36H,1-2H3;1-24H;3-10,12-13H,11H2,1-2H3
InChIKeyBPTQYMCCOUXFGD-UHFFFAOYSA-N
MW1725.51 g/mol
LogP30.30
Rot. Bonds7

About 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

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 (PubChem CID 157424213) has the molecular formula C123H82ClN7O2 and a molecular weight of 1725.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID157424213
Molecular FormulaC123H82ClN7O2
Molecular Weight1725.51 g/mol
Exact Mass1723.62
IUPAC Name2-(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
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)Cc1ccccc1-3.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)-c4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc4C54c5ccccc5Oc5ccccc54)c3cc21.Clc1ccc2c(c1)-c1c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc1C21c2ccccc2Oc2ccccc21
InChIInChI=1S/C61H40N4O.C40H24ClN3O.C22H18/c1-60(2)46-25-11-9-22-40(46)43-35-44-41-23-10-14-29-52(41)65(53(44)36-51(43)60)39-32-33-47-45(34-39)56-42(59-63-57(37-18-5-3-6-19-37)62-58(64-59)38-20-7-4-8-21-38)24-17-28-50(56)61(47)48-26-12-15-30-54(48)66-55-31-16-13-27-49(55)61;41-27-22-23-30-29(24-27)36-28(39-43-37(25-12-3-1-4-13-25)42-38(44-39)26-14-5-2-6-15-26)16-11-19-33(36)40(30)31-17-7-9-20-34(31)45-35-21-10-8-18-32(35)40;1-22(2)20-10-6-5-9-17(20)19-13-18-15(12-21(19)22)11-14-7-3-4-8-16(14)18/h3-36H,1-2H3;1-24H;3-10,12-13H,11H2,1-2H3
InChIKeyBPTQYMCCOUXFGD-UHFFFAOYSA-N
XLogP30.30
TPSA100.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms133
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001725.51
LogP ≤ 530.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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
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
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[indeno[2,1-b]carbazole-7,9'-xanthene]
CID 130288850
5-[6-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)-9H-fluoren-3-yl]-7,7-dimethylindeno[2,1-b]carbazole
CID 145017206
9-[3-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-4-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 154624198
11'-(4,6-diphenyl-1,3,5-triazin-2-yl)-5'-phenylspiro[fluorene-9,7'-indeno[2,1-b]carbazole]
CID 156559628
sodium;3-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-11,11-dimethylindeno[1,2-b]carbazole;3-chloro-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]-11,11-dimethylindeno[1,2-b]carbazole;ethane;9H-fluorene;2-methylpropan-2-olate
CID 159519165
7,7-dimethyl-5-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]indeno[2,1-b]carbazole
CID 139567879
9-[4-[4-(9,9-dimethylfluoren-4-yl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]carbazole
CID 90059498
2-carbazol-9-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole
CID 66804832
9-[4'-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2-yl]carbazole
CID 168836616
2-phenyl-9-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3-yl-1,3,5-triazin-2-yl)phenyl]carbazole
CID 166650803

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2cc3c(cc21)Cc1ccccc1-3.CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4ccc5c(c4)-c4c(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cccc4C54c5ccccc5Oc5ccccc54)c3cc21.Clc1ccc2c(c1)-c1c(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cccc1C21c2ccccc2Oc2ccccc21.
What is the InChIKey of 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?
The InChIKey is BPTQYMCCOUXFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N4O.C40H24ClN3O.C22H18/c1-60(2)46-25-11-9-22-40(46)43-35-44-41-23-10-14-29-52(41)65(53(44)36-51(43)60)39-32-33-47-45(34-39)56-42(59-63-57(37-18-5-3-6-19-37)62-58(64-59)38-20-7-4-8-21-38)24-17-28-50(56)61(47)48-26-12-15-30-54(48)66-55-31-16-13-27-49(55)61;41-27-22-23-30-29(24-27)36-28(39-43-37(25-12-3-1-4-13-25)42-38(44-39)26-14-5-2-6-15-26)16-11-19-33(36)40(30)31-17-7-9-20-34(31)45-35-21-10-8-18-32(35)40;1-22(2)20-10-6-5-9-17(20)19-13-18-15(12-21(19)22)11-14-7-3-4-8-16(14)18/h3-36H,1-2H3;1-24H;3-10,12-13H,11H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1725.51 g/mol, XLogP of 30.30, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157424213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).