5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole

C68H47N5 — CID 164800045

IUPAC5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
SMILESCc1c(-c2cc(-c3ccc4c(c3)CC4)cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c34)c2)cccc1-c1ccc2c(c1)CC2
InChIInChI=1S/C68H47N5/c1-42-56(51-30-26-44-24-28-49(44)38-51)19-12-20-57(42)53-39-52(50-29-25-43-23-27-48(43)37-50)40-55(41-53)72-62-22-11-9-18-60(62)64-63(72)36-35-59-58-17-8-10-21-61(58)73(65(59)64)54-33-31-47(32-34-54)68-70-66(45-13-4-2-5-14-45)69-67(71-68)46-15-6-3-7-16-46/h2-22,25-26,29-41H,23-24,27-28H2,1H3
InChIKeyUAZBZFKZUZFPCC-UHFFFAOYSA-N
MW934.16 g/mol
LogP16.57
Rot. Bonds8

About 5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole

5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole (PubChem CID 164800045) has the molecular formula C68H47N5 and a molecular weight of 934.16 g/mol. Its IUPAC name is 5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
PubChem CID164800045
Molecular FormulaC68H47N5
Molecular Weight934.16 g/mol
Exact Mass933.38
IUPAC Name5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
SMILESCc1c(-c2cc(-c3ccc4c(c3)CC4)cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c34)c2)cccc1-c1ccc2c(c1)CC2
InChIInChI=1S/C68H47N5/c1-42-56(51-30-26-44-24-28-49(44)38-51)19-12-20-57(42)53-39-52(50-29-25-43-23-27-48(43)37-50)40-55(41-53)72-62-22-11-9-18-60(62)64-63(72)36-35-59-58-17-8-10-21-61(58)73(65(59)64)54-33-31-47(32-34-54)68-70-66(45-13-4-2-5-14-45)69-67(71-68)46-15-6-3-7-16-46/h2-22,25-26,29-41H,23-24,27-28H2,1H3
InChIKeyUAZBZFKZUZFPCC-UHFFFAOYSA-N
XLogP16.57
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500934.16
LogP ≤ 516.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole with MolForge

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Related Compounds

12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5,9-diphenylindolo[3,2-c]carbazole
CID 126628139
5-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-12-phenylindolo[3,2-c]carbazole
CID 139496723
12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-[3-(9-phenylcarbazol-3-yl)phenyl]indolo[3,2-c]carbazole
CID 170268481
3-carbazol-9-yl-9-[3-[3-(3-phenylphenyl)phenyl]phenyl]carbazole;12-(3,5-diphenylphenyl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole;9-(3-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159378561
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 126628160
5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-12-(4-triphenylen-2-ylphenyl)indolo[3,2-c]carbazole
CID 170289111
5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]indolo[3,2-c]carbazole
CID 169037225
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenyl-10-[4-[4-phenyl-6-[4-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]indolo[3,2-c]carbazole
CID 163726164
3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-methylphenyl]-9-phenylcarbazole
CID 122224307
5-(9,9-dimethylfluoren-2-yl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(2,5-diphenylphenyl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole;5-(3,5-diphenylphenyl)-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole
CID 158997353
12-phenyl-5-[4-[6-phenyl-2-[4-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]indolo[3,2-c]carbazole
CID 139496953
11-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-5-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-b]carbazole;4-[3-[9-[3-[3-[3-[3-[9-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbazol-3-yl]carbazol-9-yl]-5-(2-methyl-3-phenylphenyl)phenyl]-2-methylphenyl]-5-phenylphenyl]carbazol-3-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 165079396

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole (CID 164800045) is 5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole is Cc1c(-c2cc(-c3ccc4c(c3)CC4)cc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5)c34)c2)cccc1-c1ccc2c(c1)CC2.
What is the InChIKey of 5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole?
The InChIKey is UAZBZFKZUZFPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H47N5/c1-42-56(51-30-26-44-24-28-49(44)38-51)19-12-20-57(42)53-39-52(50-29-25-43-23-27-48(43)37-50)40-55(41-53)72-62-22-11-9-18-60(62)64-63(72)36-35-59-58-17-8-10-21-61(58)73(65(59)64)54-33-31-47(32-34-54)68-70-66(45-13-4-2-5-14-45)69-67(71-68)46-15-6-3-7-16-46/h2-22,25-26,29-41H,23-24,27-28H2,1H3.
What are the key properties of 5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole?
5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole has a molecular weight of 934.16 g/mol, XLogP of 16.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-5-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2-methylphenyl]phenyl]-12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 164800045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).