11-phenyl-12-[4-phenyl-6-[17-phenyl-24-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

C101H59N7 — CID 122519888

IUPAC11-phenyl-12-[4-phenyl-6-[17-phenyl-24-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c5c(cccc35)C35c6cccc7c(-c8ccccc8)ccc(c67)C43c3ccc(-n4c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc64)c4cccc5c34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C101H59N7/c1-5-24-60(25-6-1)66-50-52-82-92-71(66)36-21-39-79(92)100-80-40-22-37-72-75(98-102-97(61-26-7-2-8-27-61)103-99(104-98)108-88-45-20-14-33-68(88)74-49-48-73-67-32-13-18-43-86(67)106(95(73)96(74)108)65-30-11-4-12-31-65)51-53-83(93(72)80)101(82,100)84-54-57-89(76-38-23-41-81(100)94(76)84)107-87-44-19-16-35-70(87)78-59-63(47-56-91(78)107)62-46-55-90-77(58-62)69-34-15-17-42-85(69)105(90)64-28-9-3-10-29-64/h1-59H
InChIKeyXFVLSXVVFHMJFD-UHFFFAOYSA-N
MW1370.63 g/mol
LogP24.70
Rot. Bonds8

About 11-phenyl-12-[4-phenyl-6-[17-phenyl-24-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole

11-phenyl-12-[4-phenyl-6-[17-phenyl-24-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 122519888) has the molecular formula C101H59N7 and a molecular weight of 1370.63 g/mol. Its IUPAC name is 11-phenyl-12-[4-phenyl-6-[17-phenyl-24-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.

Molecular Properties

Compound Name11-phenyl-12-[4-phenyl-6-[17-phenyl-24-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
PubChem CID122519888
Molecular FormulaC101H59N7
Molecular Weight1370.63 g/mol
Exact Mass1369.48
IUPAC Name11-phenyl-12-[4-phenyl-6-[17-phenyl-24-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c5c(cccc35)C35c6cccc7c(-c8ccccc8)ccc(c67)C43c3ccc(-n4c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc64)c4cccc5c34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1
InChIInChI=1S/C101H59N7/c1-5-24-60(25-6-1)66-50-52-82-92-71(66)36-21-39-79(92)100-80-40-22-37-72-75(98-102-97(61-26-7-2-8-27-61)103-99(104-98)108-88-45-20-14-33-68(88)74-49-48-73-67-32-13-18-43-86(67)106(95(73)96(74)108)65-30-11-4-12-31-65)51-53-83(93(72)80)101(82,100)84-54-57-89(76-38-23-41-81(100)94(76)84)107-87-44-19-16-35-70(87)78-59-63(47-56-91(78)107)62-46-55-90-77(58-62)69-34-15-17-42-85(69)105(90)64-28-9-3-10-29-64/h1-59H
InChIKeyXFVLSXVVFHMJFD-UHFFFAOYSA-N
XLogP24.70
TPSA58.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001370.63
LogP ≤ 524.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11-phenyl-12-[4-phenyl-6-[17-phenyl-24-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole with MolForge

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Related Compounds

11-(2,5-diphenylphenyl)-12-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165165404
3,12-diphenyl-11-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 154596185
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-9-phenylcarbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 160782385
3-carbazol-9-yl-12-(4-phenylphenyl)-11-[4-phenyl-6-(9-phenylcarbazol-1-yl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 168729227
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-15,15-dimethyl-8-(9-phenylcarbazol-3-yl)-12-azahexacyclo[14.7.1.02,14.05,13.06,11.020,24]tetracosa-1(23),2(14),3,5(13),6(11),7,9,16,18,20(24),21-undecaene
CID 135274257
3,8,11-triphenyl-12-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 134507218
12-[4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-(2,5-diphenylphenyl)indolo[2,3-a]carbazole
CID 165165482
3,8,11-triphenyl-12-[4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 164799955
12'-[4-[3-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-3'-(9-phenylcarbazol-3-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 118613483
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 170268481
1,3-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;1,3-di(carbazol-9-yl)-9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenylcarbazole
CID 158933080
3-carbazol-9-yl-12-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-(3-triphenylen-2-ylphenyl)indolo[2,3-a]carbazole
CID 168729461

Frequently Asked Questions

What is the IUPAC name of 11-phenyl-12-[4-phenyl-6-[17-phenyl-24-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 11-phenyl-12-[4-phenyl-6-[17-phenyl-24-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 122519888) is 11-phenyl-12-[4-phenyl-6-[17-phenyl-24-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 11-phenyl-12-[4-phenyl-6-[17-phenyl-24-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 11-phenyl-12-[4-phenyl-6-[17-phenyl-24-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is c1ccc(-c2nc(-c3ccc4c5c(cccc35)C35c6cccc7c(-c8ccccc8)ccc(c67)C43c3ccc(-n4c6ccccc6c6cc(-c7ccc8c(c7)c7ccccc7n8-c7ccccc7)ccc64)c4cccc5c34)nc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)n2)cc1.
What is the InChIKey of 11-phenyl-12-[4-phenyl-6-[17-phenyl-24-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The InChIKey is XFVLSXVVFHMJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H59N7/c1-5-24-60(25-6-1)66-50-52-82-92-71(66)36-21-39-79(92)100-80-40-22-37-72-75(98-102-97(61-26-7-2-8-27-61)103-99(104-98)108-88-45-20-14-33-68(88)74-49-48-73-67-32-13-18-43-86(67)106(95(73)96(74)108)65-30-11-4-12-31-65)51-53-83(93(72)80)101(82,100)84-54-57-89(76-38-23-41-81(100)94(76)84)107-87-44-19-16-35-70(87)78-59-63(47-56-91(78)107)62-46-55-90-77(58-62)69-34-15-17-42-85(69)105(90)64-28-9-3-10-29-64/h1-59H.
What are the key properties of 11-phenyl-12-[4-phenyl-6-[17-phenyl-24-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
11-phenyl-12-[4-phenyl-6-[17-phenyl-24-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 1370.63 g/mol, XLogP of 24.70, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenyl-12-[4-phenyl-6-[17-phenyl-24-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-5-nonacyclo[9.9.9.12,6.112,16.121,25.01,11.010,32.020,31.029,30]dotriaconta-2(32),3,5,7,9,12,14,16,18,20(31),21(30),22,24,26,28-pentadecaenyl]-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 122519888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).