3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile

C121H71N15OS — CID 162115023

IUPAC3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)Cc4ccccc4-6)c3)n2)cc1.N#Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)n2)c1
InChIInChI=1S/C41H25N5.C40H23N5O.C40H23N5S/c42-25-26-17-19-28(20-18-26)40-43-39(27-9-2-1-3-10-27)44-41(45-40)30-12-8-13-31(23-30)46-37-16-7-6-15-34(37)35-22-21-33-32-14-5-4-11-29(32)24-36(33)38(35)46;41-24-25-9-8-12-28(23-25)40-43-38(26-10-2-1-3-11-26)42-39(44-40)27-17-19-29(20-18-27)45-34-15-6-4-13-30(34)32-21-22-33-31-14-5-7-16-35(31)46-37(33)36(32)45;41-24-25-14-16-27(17-15-25)39-42-38(26-8-2-1-3-9-26)43-40(44-39)28-18-20-29(21-19-28)45-34-12-6-4-10-30(34)32-22-23-33-31-11-5-7-13-35(31)46-37(33)36(32)45/h1-23H,24H2;2*1-23H
InChIKeyZGQPCNSWVUIBOX-UHFFFAOYSA-N
MW1783.07 g/mol
LogP29.36
Rot. Bonds12

About 3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile

3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 162115023) has the molecular formula C121H71N15OS and a molecular weight of 1783.07 g/mol. Its IUPAC name is 3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
PubChem CID162115023
Molecular FormulaC121H71N15OS
Molecular Weight1783.07 g/mol
Exact Mass1781.57
IUPAC Name3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)Cc4ccccc4-6)c3)n2)cc1.N#Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)n2)c1
InChIInChI=1S/C41H25N5.C40H23N5O.C40H23N5S/c42-25-26-17-19-28(20-18-26)40-43-39(27-9-2-1-3-10-27)44-41(45-40)30-12-8-13-31(23-30)46-37-16-7-6-15-34(37)35-22-21-33-32-14-5-4-11-29(32)24-36(33)38(35)46;41-24-25-9-8-12-28(23-25)40-43-38(26-10-2-1-3-11-26)42-39(44-40)27-17-19-29(20-18-27)45-34-15-6-4-13-30(34)32-21-22-33-31-14-5-7-16-35(31)46-37(33)36(32)45;41-24-25-14-16-27(17-15-25)39-42-38(26-8-2-1-3-9-26)43-40(44-39)28-18-20-29(21-19-28)45-34-12-6-4-10-30(34)32-22-23-33-31-11-5-7-13-35(31)46-37(33)36(32)45/h1-23H,24H2;2*1-23H
InChIKeyZGQPCNSWVUIBOX-UHFFFAOYSA-N
XLogP29.36
TPSA215.31 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001783.07
LogP ≤ 529.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile with MolForge

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Related Compounds

12-[3-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole
CID 166953083
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole;3-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinazolin-4-yl]benzonitrile
CID 158227844
12-[3-[4-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 167337151
3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;3-[3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[3-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile;12-[4-(3-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]-[1]benzothiolo[2,3-a]carbazole;12-[3-[4-(3-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(4-isocyanophenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 165033912
12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzofuro[2,3-a]carbazole;12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-phenyl-[1]benzothiolo[2,3-a]carbazole
CID 165076268
12-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4-phenylquinazolin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(4-phenylquinazolin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole
CID 157438203
12-[3-[4-(3-isocyanophenyl)-6-phenylpyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-[4-(3-isocyanophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-[1]benzothiolo[2,3-a]carbazole;3-[2-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]quinolin-4-yl]benzonitrile
CID 160716800
12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[3-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;11-[4-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)phenyl]-12,12-dimethylindeno[2,1-a]carbazole
CID 158900614
3-[4-([1]benzofuro[2,3-a]carbazol-12-yl)-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 126591179
CID 164966273
CID 164966273
4-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-2-phenylbenzonitrile
CID 126627638
12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzofuro[2,3-a]carbazole;12-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-[1]benzothiolo[2,3-a]carbazole;15-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-11,11-dimethyl-18-phenyl-15,18-diazaheptacyclo[14.11.0.02,14.04,12.05,10.017,25.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17(25),19,21,23,26-dodecaene
CID 159872132

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile (CID 162115023) is 3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile is N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3)n2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5ccc6c(c54)Cc4ccccc4-6)c3)n2)cc1.N#Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)n2)c1.
What is the InChIKey of 3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is ZGQPCNSWVUIBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H25N5.C40H23N5O.C40H23N5S/c42-25-26-17-19-28(20-18-26)40-43-39(27-9-2-1-3-10-27)44-41(45-40)30-12-8-13-31(23-30)46-37-16-7-6-15-34(37)35-22-21-33-32-14-5-4-11-29(32)24-36(33)38(35)46;41-24-25-9-8-12-28(23-25)40-43-38(26-10-2-1-3-11-26)42-39(44-40)27-17-19-29(20-18-27)45-34-15-6-4-13-30(34)32-21-22-33-31-14-5-7-16-35(31)46-37(33)36(32)45;41-24-25-14-16-27(17-15-25)39-42-38(26-8-2-1-3-9-26)43-40(44-39)28-18-20-29(21-19-28)45-34-12-6-4-10-30(34)32-22-23-33-31-11-5-7-13-35(31)46-37(33)36(32)45/h1-23H,24H2;2*1-23H.
What are the key properties of 3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 1783.07 g/mol, XLogP of 29.36, 12 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-([1]benzofuro[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[4-([1]benzothiolo[2,3-a]carbazol-12-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3-(12H-indeno[2,1-a]carbazol-11-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 162115023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).