N,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole

C201H138N22 — CID 160597279

IUPACN,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2c(-n3c4ccccc4c4ncccc43)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3ncccc32)cc1.c1ccc(-c2cc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ncccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C81H50N8.C64H53N7.C56H35N7/c1-3-26-51(27-4-1)62-50-63(84-81(83-62)52-28-5-2-6-29-52)74-76(85-64-39-16-7-30-53(64)54-31-8-17-40-65(54)85)78(87-68-43-20-11-34-57(68)58-35-12-21-44-69(58)87)80(89-72-47-24-15-38-61(72)75-73(89)48-25-49-82-75)79(88-70-45-22-13-36-59(70)60-37-14-23-46-71(60)88)77(74)86-66-41-18-9-32-55(66)56-33-10-19-42-67(56)86;1-63(2,3)45-29-33-47(34-30-45)69(48-35-31-46(32-36-48)64(4,5)6)61-57(70-53-25-15-13-23-49(53)59-55(70)27-17-37-65-59)39-44(40-58(61)71-54-26-16-14-24-50(54)60-56(71)28-18-38-66-60)52-41-51(42-19-9-7-10-20-42)67-62(68-52)43-21-11-8-12-22-43;1-3-17-36(18-4-1)43-35-44(60-56(59-43)37-19-5-2-6-20-37)38-33-51(61-47-27-13-9-23-41(47)53-49(61)29-15-31-57-53)55(63-45-25-11-7-21-39(45)40-22-8-12-26-46(40)63)52(34-38)62-48-28-14-10-24-42(48)54-50(62)30-16-32-58-54/h1-50H;7-41H,1-6H3;1-35H
InChIKeyRDUKALZRRZJBTJ-UHFFFAOYSA-N
MW2861.47 g/mol
LogP50.44
Rot. Bonds22

About N,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole

N,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole (PubChem CID 160597279) has the molecular formula C201H138N22 and a molecular weight of 2861.47 g/mol. Its IUPAC name is N,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole.

Molecular Properties

Compound NameN,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole
PubChem CID160597279
Molecular FormulaC201H138N22
Molecular Weight2861.47 g/mol
Exact Mass2859.15
IUPAC NameN,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole
SMILESCC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2c(-n3c4ccccc4c4ncccc43)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3ncccc32)cc1.c1ccc(-c2cc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ncccc54)c3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C81H50N8.C64H53N7.C56H35N7/c1-3-26-51(27-4-1)62-50-63(84-81(83-62)52-28-5-2-6-29-52)74-76(85-64-39-16-7-30-53(64)54-31-8-17-40-65(54)85)78(87-68-43-20-11-34-57(68)58-35-12-21-44-69(58)87)80(89-72-47-24-15-38-61(72)75-73(89)48-25-49-82-75)79(88-70-45-22-13-36-59(70)60-37-14-23-46-71(60)88)77(74)86-66-41-18-9-32-55(66)56-33-10-19-42-67(56)86;1-63(2,3)45-29-33-47(34-30-45)69(48-35-31-46(32-36-48)64(4,5)6)61-57(70-53-25-15-13-23-49(53)59-55(70)27-17-37-65-59)39-44(40-58(61)71-54-26-16-14-24-50(54)60-56(71)28-18-38-66-60)52-41-51(42-19-9-7-10-20-42)67-62(68-52)43-21-11-8-12-22-43;1-3-17-36(18-4-1)43-35-44(60-56(59-43)37-19-5-2-6-20-37)38-33-51(61-47-27-13-9-23-41(47)53-49(61)29-15-31-57-53)55(63-45-25-11-7-21-39(45)40-22-8-12-26-46(40)63)52(34-38)62-48-28-14-10-24-42(48)54-50(62)30-16-32-58-54/h1-50H;7-41H,1-6H3;1-35H
InChIKeyRDUKALZRRZJBTJ-UHFFFAOYSA-N
XLogP50.44
TPSA194.33 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms223
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002861.47
LogP ≤ 550.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze N,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole 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

5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-2-pyrido[3,2-b]indol-5-ylbenzene-1,3-diamine
CID 135131209
8-[2-(3,6-ditert-butylcarbazol-9-yl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 135131365
10-[4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)phenyl]phenoxazine
CID 135131249
8-[2,6-bis(3,6-ditert-butylcarbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,12-ditert-butyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 135131119
8-[2-carbazol-9-yl-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 135131420
8-[2,6-bis(3,6-dimethylcarbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4,12-dimethyl-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2,6-bis(3,6-dimethylcarbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-[2-(3,6-dimethylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)-3-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)phenyl]-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 160536422
5-(2,6-diphenylpyrimidin-4-yl)-1-N,1-N,3-N,3-N-tetraphenyl-2-(3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)benzene-1,3-diamine
CID 135131110
5-[2-carbazol-9-yl-3-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-4,5,6-tris(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 176634623
3-(9-phenylcarbazol-3-yl)-9-[2,4,6-tri(carbazol-9-yl)-3,5-bis(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 155138334
3-tert-butyl-9-[3-(3-tert-butylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazole
CID 150821440
6-(3,6-ditert-butylcarbazol-9-yl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrido[3,2-b]indole
CID 145345226
5-[2,3,4,5-tetrakis(pyrido[3,2-b]indol-5-yl)phenyl]pyrido[3,2-b]indole
CID 155141325

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole?
The IUPAC name of N,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole (CID 160597279) is N,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole.
What is the SMILES notation for N,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole?
The canonical SMILES for N,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole is CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2c(-n3c4ccccc4c4ncccc43)cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)n3)cc2-n2c3ccccc3c3ncccc32)cc1.c1ccc(-c2cc(-c3c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ccccc54)c3-n3c4ccccc4c4ccccc43)nc(-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3cc(-n4c5ccccc5c5ncccc54)c(-n4c5ccccc5c5ccccc54)c(-n4c5ccccc5c5ncccc54)c3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of N,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole?
The InChIKey is RDUKALZRRZJBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H50N8.C64H53N7.C56H35N7/c1-3-26-51(27-4-1)62-50-63(84-81(83-62)52-28-5-2-6-29-52)74-76(85-64-39-16-7-30-53(64)54-31-8-17-40-65(54)85)78(87-68-43-20-11-34-57(68)58-35-12-21-44-69(58)87)80(89-72-47-24-15-38-61(72)75-73(89)48-25-49-82-75)79(88-70-45-22-13-36-59(70)60-37-14-23-46-71(60)88)77(74)86-66-41-18-9-32-55(66)56-33-10-19-42-67(56)86;1-63(2,3)45-29-33-47(34-30-45)69(48-35-31-46(32-36-48)64(4,5)6)61-57(70-53-25-15-13-23-49(53)59-55(70)27-17-37-65-59)39-44(40-58(61)71-54-26-16-14-24-50(54)60-56(71)28-18-38-66-60)52-41-51(42-19-9-7-10-20-42)67-62(68-52)43-21-11-8-12-22-43;1-3-17-36(18-4-1)43-35-44(60-56(59-43)37-19-5-2-6-20-37)38-33-51(61-47-27-13-9-23-41(47)53-49(61)29-15-31-57-53)55(63-45-25-11-7-21-39(45)40-22-8-12-26-46(40)63)52(34-38)62-48-28-14-10-24-42(48)54-50(62)30-16-32-58-54/h1-50H;7-41H,1-6H3;1-35H.
What are the key properties of N,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole?
N,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole has a molecular weight of 2861.47 g/mol, XLogP of 50.44, 22 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-tert-butylphenyl)-4-(2,6-diphenylpyrimidin-4-yl)-2,6-bis(pyrido[3,2-b]indol-5-yl)aniline;5-[2-carbazol-9-yl-5-(2,6-diphenylpyrimidin-4-yl)-3-pyrido[3,2-b]indol-5-ylphenyl]pyrido[3,2-b]indole;5-[2,3,5,6-tetra(carbazol-9-yl)-4-(2,6-diphenylpyrimidin-4-yl)phenyl]pyrido[3,2-b]indole is sourced from PubChem (CID 160597279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).