5-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole

C163H119N15 — CID 163634471

IUPAC5-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C65H55N7.C62H40N6.C36H24N2/c1-63(2,3)45-32-27-42(28-33-45)59-67-60(43-29-34-46(35-30-43)64(4,5)6)71-62(70-59)51-37-44(61-68-57(40-19-11-9-12-20-40)66-58(69-61)41-21-13-10-14-22-41)31-36-55(51)72-54-26-18-16-24-48(54)50-38-49-47-23-15-17-25-52(47)65(7,8)53(49)39-56(50)72;1-6-20-41(21-7-1)52-39-54(65-61(63-52)43-24-10-3-11-25-43)45-34-37-58(51(38-45)55-40-53(42-22-8-2-9-23-42)64-62(66-55)44-26-12-4-13-27-44)68-57-33-19-17-31-48(57)50-36-35-49-47-30-16-18-32-56(47)67(59(49)60(50)68)46-28-14-5-15-29-46;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h9-39H,1-8H3;1-40H;1-24H
InChIKeyHYXVPDVEZNEKLG-UHFFFAOYSA-N
MW2287.85 g/mol
LogP41.07
Rot. Bonds18

About 5-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole

5-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole (PubChem CID 163634471) has the molecular formula C163H119N15 and a molecular weight of 2287.85 g/mol. Its IUPAC name is 5-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole.

Molecular Properties

Compound Name5-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
PubChem CID163634471
Molecular FormulaC163H119N15
Molecular Weight2287.85 g/mol
Exact Mass2285.98
IUPAC Name5-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole
SMILESCC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1
InChIInChI=1S/C65H55N7.C62H40N6.C36H24N2/c1-63(2,3)45-32-27-42(28-33-45)59-67-60(43-29-34-46(35-30-43)64(4,5)6)71-62(70-59)51-37-44(61-68-57(40-19-11-9-12-20-40)66-58(69-61)41-21-13-10-14-22-41)31-36-55(51)72-54-26-18-16-24-48(54)50-38-49-47-23-15-17-25-52(47)65(7,8)53(49)39-56(50)72;1-6-20-41(21-7-1)52-39-54(65-61(63-52)43-24-10-3-11-25-43)45-34-37-58(51(38-45)55-40-53(42-22-8-2-9-23-42)64-62(66-55)44-26-12-4-13-27-44)68-57-33-19-17-31-48(57)50-36-35-49-47-30-16-18-32-56(47)67(59(49)60(50)68)46-28-14-5-15-29-46;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h9-39H,1-8H3;1-40H;1-24H
InChIKeyHYXVPDVEZNEKLG-UHFFFAOYSA-N
XLogP41.07
TPSA153.55 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002287.85
LogP ≤ 541.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 5-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole with MolForge

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Related Compounds

5-[2-(2,6-diphenylpyrimidin-4-yl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 149412485
5-[3-[2,6-bis[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole;5-[4-[2,6-bis[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 159514496
11-[3-[4-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 155785924
15-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459494
15-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-19,19-dimethyl-11-phenyl-11,15-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(27),2(14),3,5,7,9,12,16,18(26),20,22,24-dodecaene
CID 121459489
8-[4-[3-[2-[2-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]phenyl]-14-phenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 155785962
5-[3-[2,6-bis[4-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]pyrimidin-4-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 126630697
11-[4-(2,6-diphenyl-4-pyridinyl)-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[3,2-b]carbazole;5-[2-(4,6-diphenyl-2-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;11-[2-(2,6-diphenyl-4-pyridinyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 163671898
5-[4-(3,5-diphenylphenyl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole;5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 158211170
5-[2-[4-carbazol-9-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-7,7-dimethylindeno[2,1-b]carbazole
CID 169014487
12-[4-(2,6-diphenylpyrimidin-4-yl)-2-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethylindeno[1,2-a]carbazole
CID 149347203
11-[4-[4-(9,9-dimethylfluoren-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 153028901

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole?
The IUPAC name of 5-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole (CID 163634471) is 5-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole.
What is the SMILES notation for 5-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole?
The canonical SMILES for 5-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole is CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3cc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc3-n3c4ccccc4c4cc5c(cc43)C(C)(C)c3ccccc3-5)n2)cc1.c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)c(-c4cc(-c5ccccc5)nc(-c5ccccc5)n4)c3)nc(-c3ccccc3)n2)cc1.c1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1.
What is the InChIKey of 5-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole?
The InChIKey is HYXVPDVEZNEKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H55N7.C62H40N6.C36H24N2/c1-63(2,3)45-32-27-42(28-33-45)59-67-60(43-29-34-46(35-30-43)64(4,5)6)71-62(70-59)51-37-44(61-68-57(40-19-11-9-12-20-40)66-58(69-61)41-21-13-10-14-22-41)31-36-55(51)72-54-26-18-16-24-48(54)50-38-49-47-23-15-17-25-52(47)65(7,8)53(49)39-56(50)72;1-6-20-41(21-7-1)52-39-54(65-61(63-52)43-24-10-3-11-25-43)45-34-37-58(51(38-45)55-40-53(42-22-8-2-9-23-42)64-62(66-55)44-26-12-4-13-27-44)68-57-33-19-17-31-48(57)50-36-35-49-47-30-16-18-32-56(47)67(59(49)60(50)68)46-28-14-5-15-29-46;1-5-13-33-29(9-1)30-10-2-6-14-34(30)37(33)27-21-17-25(18-22-27)26-19-23-28(24-20-26)38-35-15-7-3-11-31(35)32-12-4-8-16-36(32)38/h9-39H,1-8H3;1-40H;1-24H.
What are the key properties of 5-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole?
5-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole has a molecular weight of 2287.85 g/mol, XLogP of 41.07, 18 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole;12-[2,4-bis(2,6-diphenylpyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole is sourced from PubChem (CID 163634471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).