7'-[4-(10-methyl-11-phenyl-9,10-dihydroindolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile

C60H38N6 — CID 144596066

IUPAC7'-[4-(10-methyl-11-phenyl-9,10-dihydroindolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile
SMILESCC1CC=Cc2c1n(-c1ccccc1)c1c2ccc2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(C#N)ccc4-5)n3)c21
InChIInChI=1S/C60H38N6/c1-36-15-14-23-46-48-32-31-47-45-22-10-13-26-53(45)66(56(47)55(48)65(54(36)46)40-18-6-3-7-19-40)59-63-57(38-16-4-2-5-17-38)62-58(64-59)39-28-30-44-43-29-27-37(35-61)33-51(43)60(52(44)34-39)49-24-11-8-20-41(49)42-21-9-12-25-50(42)60/h2-14,16-34,36H,15H2,1H3
InChIKeyDYPUVTMWOQWXQS-UHFFFAOYSA-N
MW843.01 g/mol
LogP13.98
Rot. Bonds4

About 7'-[4-(10-methyl-11-phenyl-9,10-dihydroindolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile

7'-[4-(10-methyl-11-phenyl-9,10-dihydroindolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile (PubChem CID 144596066) has the molecular formula C60H38N6 and a molecular weight of 843.01 g/mol. Its IUPAC name is 7'-[4-(10-methyl-11-phenyl-9,10-dihydroindolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile.

Molecular Properties

Compound Name7'-[4-(10-methyl-11-phenyl-9,10-dihydroindolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile
PubChem CID144596066
Molecular FormulaC60H38N6
Molecular Weight843.01 g/mol
Exact Mass842.32
IUPAC Name7'-[4-(10-methyl-11-phenyl-9,10-dihydroindolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile
SMILESCC1CC=Cc2c1n(-c1ccccc1)c1c2ccc2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(C#N)ccc4-5)n3)c21
InChIInChI=1S/C60H38N6/c1-36-15-14-23-46-48-32-31-47-45-22-10-13-26-53(45)66(56(47)55(48)65(54(36)46)40-18-6-3-7-19-40)59-63-57(38-16-4-2-5-17-38)62-58(64-59)39-28-30-44-43-29-27-37(35-61)33-51(43)60(52(44)34-39)49-24-11-8-20-41(49)42-21-9-12-25-50(42)60/h2-14,16-34,36H,15H2,1H3
InChIKeyDYPUVTMWOQWXQS-UHFFFAOYSA-N
XLogP13.98
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.01
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7'-[4-(10-methyl-11-phenyl-9,10-dihydroindolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-7'-(11-phenylindolo[2,3-a]carbazol-12-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-phenylindolo[2,3-a]carbazole
CID 88886983
12-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9'-spirobi[fluorene]-2'-yl]-11-(4-phenylphenyl)indolo[2,3-a]carbazole
CID 88886982
7-[6-(7-cyano-9,9-dimethylfluoren-2-yl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)pyrimidin-4-yl]-9,9-dimethylfluorene-2-carbonitrile
CID 144595910
12-[4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169037030
12-[4-(2'-carbazol-9-yl-9,9'-spirobi[fluorene]-2-yl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole
CID 88887018
9-phenyl-2-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 149374093
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
7'-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9,9'-spirobi[fluorene]-2'-carbonitrile
CID 162776381
12'-[4,6-bis(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 90247348
12-[4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]indolo[2,3-a]carbazole
CID 169037543
9-(4-phenyl-6-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-yl-1,3,5-triazin-2-yl)carbazole
CID 163876379
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole];11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 165100535

Frequently Asked Questions

What is the IUPAC name of 7'-[4-(10-methyl-11-phenyl-9,10-dihydroindolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile?
The IUPAC name of 7'-[4-(10-methyl-11-phenyl-9,10-dihydroindolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile (CID 144596066) is 7'-[4-(10-methyl-11-phenyl-9,10-dihydroindolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile.
What is the SMILES notation for 7'-[4-(10-methyl-11-phenyl-9,10-dihydroindolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile?
The canonical SMILES for 7'-[4-(10-methyl-11-phenyl-9,10-dihydroindolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile is CC1CC=Cc2c1n(-c1ccccc1)c1c2ccc2c3ccccc3n(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4cc(C#N)ccc4-5)n3)c21.
What is the InChIKey of 7'-[4-(10-methyl-11-phenyl-9,10-dihydroindolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile?
The InChIKey is DYPUVTMWOQWXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H38N6/c1-36-15-14-23-46-48-32-31-47-45-22-10-13-26-53(45)66(56(47)55(48)65(54(36)46)40-18-6-3-7-19-40)59-63-57(38-16-4-2-5-17-38)62-58(64-59)39-28-30-44-43-29-27-37(35-61)33-51(43)60(52(44)34-39)49-24-11-8-20-41(49)42-21-9-12-25-50(42)60/h2-14,16-34,36H,15H2,1H3.
What are the key properties of 7'-[4-(10-methyl-11-phenyl-9,10-dihydroindolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile?
7'-[4-(10-methyl-11-phenyl-9,10-dihydroindolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile has a molecular weight of 843.01 g/mol, XLogP of 13.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-[4-(10-methyl-11-phenyl-9,10-dihydroindolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]-9,9'-spirobi[fluorene]-2'-carbonitrile is sourced from PubChem (CID 144596066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).