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

C306H174N38O4S4 — CID 165033912

IUPAC3-[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
SMILESN#Cc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)n3)c2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3)n2)cc1.N#Cc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)n3)c2)c1.N#Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)n2)c1.[C-]#[N+]c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)c3)nc3ccccc23)cc1.[C-]#[N+]c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)n2)cc1.[C-]#[N+]c1cccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)c3)nc3ccccc23)c1.[C-]#[N+]c1cccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)n2)c1
InChIInChI=1S/2C40H23N5O.2C40H23N5S.C39H22N4O.C39H22N4S.C34H19N5O.C34H19N5S/c41-24-25-10-8-13-27(22-25)28-14-9-15-29(23-28)39-42-38(26-11-2-1-3-12-26)43-40(44-39)45-34-18-6-4-16-30(34)32-20-21-33-31-17-5-7-19-35(31)46-37(33)36(32)45;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;41-24-25-17-19-26(20-18-25)28-11-8-12-29(23-28)39-42-38(27-9-2-1-3-10-27)43-40(44-39)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;1-40-26-12-8-10-24(22-26)36-32-16-2-5-17-33(32)41-39(42-36)25-11-9-13-27(23-25)43-34-18-6-3-14-28(34)30-20-21-31-29-15-4-7-19-35(29)44-38(31)37(30)43;1-40-26-19-17-24(18-20-26)36-32-13-2-5-14-33(32)41-39(42-36)25-9-8-10-27(23-25)43-34-15-6-3-11-28(34)30-21-22-31-29-12-4-7-16-35(29)44-38(31)37(30)43;1-35-23-13-9-12-22(20-23)33-36-32(21-10-3-2-4-11-21)37-34(38-33)39-28-16-7-5-14-24(28)26-18-19-27-25-15-6-8-17-29(25)40-31(27)30(26)39;1-35-23-17-15-22(16-18-23)33-36-32(21-9-3-2-4-10-21)37-34(38-33)39-28-13-7-5-11-24(28)26-19-20-27-25-12-6-8-14-29(25)40-31(27)30(26)39/h4*1-23H;2*2-23H;2*2-20H
InChIKeyNBYBXYPIIMSKAT-UHFFFAOYSA-N
MW4575.29 g/mol
LogP79.37
Rot. Bonds28

About 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

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 (PubChem CID 165033912) has the molecular formula C306H174N38O4S4 and a molecular weight of 4575.29 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;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.

Molecular Properties

Compound Name3-[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
PubChem CID165033912
Molecular FormulaC306H174N38O4S4
Molecular Weight4575.29 g/mol
Exact Mass4571.35
IUPAC Name3-[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
SMILESN#Cc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)n3)c2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3)n2)cc1.N#Cc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)n3)c2)c1.N#Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)n2)c1.[C-]#[N+]c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)c3)nc3ccccc23)cc1.[C-]#[N+]c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)n2)cc1.[C-]#[N+]c1cccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)c3)nc3ccccc23)c1.[C-]#[N+]c1cccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)n2)c1
InChIInChI=1S/2C40H23N5O.2C40H23N5S.C39H22N4O.C39H22N4S.C34H19N5O.C34H19N5S/c41-24-25-10-8-13-27(22-25)28-14-9-15-29(23-28)39-42-38(26-11-2-1-3-12-26)43-40(44-39)45-34-18-6-4-16-30(34)32-20-21-33-31-17-5-7-19-35(31)46-37(33)36(32)45;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;41-24-25-17-19-26(20-18-25)28-11-8-12-29(23-28)39-42-38(27-9-2-1-3-10-27)43-40(44-39)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;1-40-26-12-8-10-24(22-26)36-32-16-2-5-17-33(32)41-39(42-36)25-11-9-13-27(23-25)43-34-18-6-3-14-28(34)30-20-21-31-29-15-4-7-19-35(29)44-38(31)37(30)43;1-40-26-19-17-24(18-20-26)36-32-13-2-5-14-33(32)41-39(42-36)25-9-8-10-27(23-25)43-34-15-6-3-11-28(34)30-21-22-31-29-12-4-7-16-35(29)44-38(31)37(30)43;1-35-23-13-9-12-22(20-23)33-36-32(21-10-3-2-4-11-21)37-34(38-33)39-28-16-7-5-14-24(28)26-18-19-27-25-15-6-8-17-29(25)40-31(27)30(26)39;1-35-23-17-15-22(16-18-23)33-36-32(21-9-3-2-4-10-21)37-34(38-33)39-28-13-7-5-11-24(28)26-19-20-27-25-12-6-8-14-29(25)40-31(27)30(26)39/h4*1-23H;2*2-23H;2*2-20H
InChIKeyNBYBXYPIIMSKAT-UHFFFAOYSA-N
XLogP79.37
TPSA488.18 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds28
Heavy Atoms352
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004575.29
LogP ≤ 579.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Analyze 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 with MolForge

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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;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?
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;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) is 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.
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;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?
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;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 is N#Cc1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)n3)c2)cc1.N#Cc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)cc3)n2)cc1.N#Cc1cccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)n3)c2)c1.N#Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)cc3)n2)c1.[C-]#[N+]c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7sc6c54)c3)nc3ccccc23)cc1.[C-]#[N+]c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6sc5c43)n2)cc1.[C-]#[N+]c1cccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccc6c7ccccc7oc6c54)c3)nc3ccccc23)c1.[C-]#[N+]c1cccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c6ccccc6oc5c43)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;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?
The InChIKey is NBYBXYPIIMSKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C40H23N5O.2C40H23N5S.C39H22N4O.C39H22N4S.C34H19N5O.C34H19N5S/c41-24-25-10-8-13-27(22-25)28-14-9-15-29(23-28)39-42-38(26-11-2-1-3-12-26)43-40(44-39)45-34-18-6-4-16-30(34)32-20-21-33-31-17-5-7-19-35(31)46-37(33)36(32)45;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;41-24-25-17-19-26(20-18-25)28-11-8-12-29(23-28)39-42-38(27-9-2-1-3-10-27)43-40(44-39)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;1-40-26-12-8-10-24(22-26)36-32-16-2-5-17-33(32)41-39(42-36)25-11-9-13-27(23-25)43-34-18-6-3-14-28(34)30-20-21-31-29-15-4-7-19-35(29)44-38(31)37(30)43;1-40-26-19-17-24(18-20-26)36-32-13-2-5-14-33(32)41-39(42-36)25-9-8-10-27(23-25)43-34-15-6-3-11-28(34)30-21-22-31-29-12-4-7-16-35(29)44-38(31)37(30)43;1-35-23-13-9-12-22(20-23)33-36-32(21-10-3-2-4-11-21)37-34(38-33)39-28-16-7-5-14-24(28)26-18-19-27-25-15-6-8-17-29(25)40-31(27)30(26)39;1-35-23-17-15-22(16-18-23)33-36-32(21-9-3-2-4-10-21)37-34(38-33)39-28-13-7-5-11-24(28)26-19-20-27-25-12-6-8-14-29(25)40-31(27)30(26)39/h4*1-23H;2*2-23H;2*2-20H.
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;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?
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 has a molecular weight of 4575.29 g/mol, XLogP of 79.37, 28 rotatable bonds, 0 hydrogen bond donors, and 42 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;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 is sourced from PubChem (CID 165033912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).