methane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile

C264H196N22 — CID 157460993

IUPACmethane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile
SMILESC.CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1c(C#N)c(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(-c2ccccc2-n2c3ccncc3c3cnccc32)c1-n1c2ccccc2c2cc(C(C)(C)C)ccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C#N)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2ccc(-n3c4ccccc4c4ccncc43)cc2)c1-n1c2ccc(C)cc2c2cc(C)ccc21.N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C96H59N7.C87H74N8.C80H59N7.CH4/c97-59-79-93(100-82-40-20-13-33-69(82)75-55-65(45-49-87(75)100)61-25-5-1-6-26-61)95(102-84-42-22-15-35-71(84)77-57-67(47-51-89(77)102)63-29-9-3-10-30-63)92(74-38-18-24-44-86(74)99-81-39-19-17-37-73(81)80-60-98-54-53-91(80)99)96(103-85-43-23-16-36-72(85)78-58-68(48-52-90(78)103)64-31-11-4-12-32-64)94(79)101-83-41-21-14-34-70(83)76-56-66(46-50-88(76)101)62-27-7-2-8-28-62;1-84(2,3)52-33-37-73-61(45-52)56-23-13-18-28-68(56)92(73)80-65(49-88)81(93-69-29-19-14-24-57(69)62-46-53(85(4,5)6)34-38-74(62)93)83(95-71-31-21-16-26-59(71)64-48-55(87(10,11)12)36-40-76(64)95)79(82(80)94-70-30-20-15-25-58(70)63-47-54(86(7,8)9)35-39-75(63)94)60-27-17-22-32-72(60)91-77-41-43-89-50-66(77)67-51-90-44-42-78(67)91;1-45-13-25-67-57(35-45)58-36-46(2)14-26-68(58)84(67)77-65(43-81)78(85-69-27-15-47(3)37-59(69)60-38-48(4)16-28-70(60)85)80(87-73-31-19-51(7)41-63(73)64-42-52(8)20-32-74(64)87)76(79(77)86-71-29-17-49(5)39-61(71)62-40-50(6)18-30-72(62)86)53-21-23-54(24-22-53)83-66-12-10-9-11-55(66)56-33-34-82-44-75(56)83;/h1-58,60H;13-48,50-51H,1-12H3;9-42,44H,1-8H3;1H4
InChIKeyBTXNDVHJQDJZSZ-UHFFFAOYSA-N
MW3676.63 g/mol
LogP68.67
Rot. Bonds22

About methane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile

methane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile (PubChem CID 157460993) has the molecular formula C264H196N22 and a molecular weight of 3676.63 g/mol. Its IUPAC name is methane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile.

Molecular Properties

Compound Namemethane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile
PubChem CID157460993
Molecular FormulaC264H196N22
Molecular Weight3676.63 g/mol
Exact Mass3673.60
IUPAC Namemethane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile
SMILESC.CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1c(C#N)c(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(-c2ccccc2-n2c3ccncc3c3cnccc32)c1-n1c2ccccc2c2cc(C(C)(C)C)ccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C#N)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2ccc(-n3c4ccccc4c4ccncc43)cc2)c1-n1c2ccc(C)cc2c2cc(C)ccc21.N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C96H59N7.C87H74N8.C80H59N7.CH4/c97-59-79-93(100-82-40-20-13-33-69(82)75-55-65(45-49-87(75)100)61-25-5-1-6-26-61)95(102-84-42-22-15-35-71(84)77-57-67(47-51-89(77)102)63-29-9-3-10-30-63)92(74-38-18-24-44-86(74)99-81-39-19-17-37-73(81)80-60-98-54-53-91(80)99)96(103-85-43-23-16-36-72(85)78-58-68(48-52-90(78)103)64-31-11-4-12-32-64)94(79)101-83-41-21-14-34-70(83)76-56-66(46-50-88(76)101)62-27-7-2-8-28-62;1-84(2,3)52-33-37-73-61(45-52)56-23-13-18-28-68(56)92(73)80-65(49-88)81(93-69-29-19-14-24-57(69)62-46-53(85(4,5)6)34-38-74(62)93)83(95-71-31-21-16-26-59(71)64-48-55(87(10,11)12)36-40-76(64)95)79(82(80)94-70-30-20-15-25-58(70)63-47-54(86(7,8)9)35-39-75(63)94)60-27-17-22-32-72(60)91-77-41-43-89-50-66(77)67-51-90-44-42-78(67)91;1-45-13-25-67-57(35-45)58-36-46(2)14-26-68(58)84(67)77-65(43-81)78(85-69-27-15-47(3)37-59(69)60-38-48(4)16-28-70(60)85)80(87-73-31-19-51(7)41-63(73)64-42-52(8)20-32-74(64)87)76(79(77)86-71-29-17-49(5)39-61(71)62-40-50(6)18-30-72(62)86)53-21-23-54(24-22-53)83-66-12-10-9-11-55(66)56-33-34-82-44-75(56)83;/h1-58,60H;13-48,50-51H,1-12H3;9-42,44H,1-8H3;1H4
InChIKeyBTXNDVHJQDJZSZ-UHFFFAOYSA-N
XLogP68.67
TPSA196.88 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms286
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003676.63
LogP ≤ 568.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze methane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile with MolForge

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Related Compounds

2,3,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile
CID 139507191
4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)benzonitrile
CID 139507138
2,6-di(carbazol-9-yl)-3,5-bis(3,6-ditert-butylcarbazol-9-yl)-4-phenylbenzonitrile
CID 137369191
3-(2,6-diphenyl-4-pyridinyl)-6-(2-pyrido[3,4-b]indol-9-ylphenyl)benzene-1,2,4,5-tetracarbonitrile
CID 138675530
2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-(4-pyrido[3,2-b]indol-5-ylphenyl)benzonitrile
CID 139507241
2,6-bis(2-carbazol-9-ylphenyl)-4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylbenzonitrile
CID 137368880
2,4,6-tris(4-carbazol-9-ylphenyl)-3,5-bis(3,6-dimethylcarbazol-9-yl)benzonitrile
CID 139441530
2,6-bis(3,6-ditert-butylcarbazol-9-yl)-3,5-bis(3,6-diphenylcarbazol-9-yl)benzonitrile
CID 168845283
6-[4-(9-phenylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)pyrido[3,4-b]indole
CID 90336700
9-[4-[3-tert-butyl-10-(4-methylphenyl)anthracen-9-yl]phenyl]-3-phenylcarbazole;9-[4-(10-phenylanthracen-9-yl)phenyl]-3-(2-phenylphenyl)carbazole
CID 162176343
2,5-bis(3,6-dimethylcarbazol-9-yl)-3,6-bis(3,6-diphenylcarbazol-9-yl)benzene-1,4-dicarbonitrile
CID 154601716
2,6-di(carbazol-9-yl)-4-(2,4-ditert-butylphenyl)-3-pyrido[2,3-b]indol-9-yl-5-pyrido[3,4-b]indol-9-ylbenzonitrile
CID 146630889

Frequently Asked Questions

What is the IUPAC name of methane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile?
The IUPAC name of methane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile (CID 157460993) is methane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile.
What is the SMILES notation for methane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile?
The canonical SMILES for methane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile is C.CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1c(C#N)c(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(-c2ccccc2-n2c3ccncc3c3cnccc32)c1-n1c2ccccc2c2cc(C(C)(C)C)ccc21.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1c(C#N)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2ccc(-n3c4ccccc4c4ccncc43)cc2)c1-n1c2ccc(C)cc2c2cc(C)ccc21.N#Cc1c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c(-c2ccccc2-n2c3ccccc3c3cnccc32)c(-n2c3ccccc3c3cc(-c4ccccc4)ccc32)c1-n1c2ccccc2c2cc(-c3ccccc3)ccc21.
What is the InChIKey of methane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile?
The InChIKey is BTXNDVHJQDJZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H59N7.C87H74N8.C80H59N7.CH4/c97-59-79-93(100-82-40-20-13-33-69(82)75-55-65(45-49-87(75)100)61-25-5-1-6-26-61)95(102-84-42-22-15-35-71(84)77-57-67(47-51-89(77)102)63-29-9-3-10-30-63)92(74-38-18-24-44-86(74)99-81-39-19-17-37-73(81)80-60-98-54-53-91(80)99)96(103-85-43-23-16-36-72(85)78-58-68(48-52-90(78)103)64-31-11-4-12-32-64)94(79)101-83-41-21-14-34-70(83)76-56-66(46-50-88(76)101)62-27-7-2-8-28-62;1-84(2,3)52-33-37-73-61(45-52)56-23-13-18-28-68(56)92(73)80-65(49-88)81(93-69-29-19-14-24-57(69)62-46-53(85(4,5)6)34-38-74(62)93)83(95-71-31-21-16-26-59(71)64-48-55(87(10,11)12)36-40-76(64)95)79(82(80)94-70-30-20-15-25-58(70)63-47-54(86(7,8)9)35-39-75(63)94)60-27-17-22-32-72(60)91-77-41-43-89-50-66(77)67-51-90-44-42-78(67)91;1-45-13-25-67-57(35-45)58-36-46(2)14-26-68(58)84(67)77-65(43-81)78(85-69-27-15-47(3)37-59(69)60-38-48(4)16-28-70(60)85)80(87-73-31-19-51(7)41-63(73)64-42-52(8)20-32-74(64)87)76(79(77)86-71-29-17-49(5)39-61(71)62-40-50(6)18-30-72(62)86)53-21-23-54(24-22-53)83-66-12-10-9-11-55(66)56-33-34-82-44-75(56)83;/h1-58,60H;13-48,50-51H,1-12H3;9-42,44H,1-8H3;1H4.
What are the key properties of methane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile?
methane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile has a molecular weight of 3676.63 g/mol, XLogP of 68.67, 22 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,3,5,6-tetrakis(3-tert-butylcarbazol-9-yl)-4-[2-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]benzonitrile;2,3,5,6-tetrakis(3,6-dimethylcarbazol-9-yl)-4-(4-pyrido[3,4-b]indol-9-ylphenyl)benzonitrile;2,3,5,6-tetrakis(3-phenylcarbazol-9-yl)-4-(2-pyrido[4,3-b]indol-5-ylphenyl)benzonitrile is sourced from PubChem (CID 157460993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).