4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene

C122H80N20 — CID 159021039

IUPAC4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc3c(c2)n2c4ccccc4nc2n(-c2ccccc2)c2nc4ccccc4n32)cc1.c1ccc(-n2c(-c3ccc4c(c3)n3c5ccccc5nc3n(-c3ccccc3)c3nc5ccccc5n43)nc3ccccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cccc(-n4c5nc6ccccc6n5c5ccccc5n5c6ccccc6nc45)c3)cc2)cc1
InChIInChI=1S/C44H30N6.2C39H25N7/c1-3-15-33(16-4-1)47(34-17-5-2-6-18-34)35-28-26-31(27-29-35)32-14-13-19-36(30-32)48-43-45-37-20-7-9-22-39(37)49(43)41-24-11-12-25-42(41)50-40-23-10-8-21-38(40)46-44(48)50;1-3-13-27(14-4-1)43-32-20-10-7-17-29(32)40-37(43)26-23-24-35-36(25-26)46-34-22-12-9-19-31(34)42-39(46)44(28-15-5-2-6-16-28)38-41-30-18-8-11-21-33(30)45(35)38;1-3-13-26(14-4-1)37-40-29-17-7-10-20-32(29)43(37)28-23-24-35-36(25-28)46-34-22-12-9-19-31(34)42-39(46)44(27-15-5-2-6-16-27)38-41-30-18-8-11-21-33(30)45(35)38/h1-30H;2*1-25H
InChIKeyJTRXAURKHAQULO-UHFFFAOYSA-N
MW1826.12 g/mol
LogP28.53
Rot. Bonds11

About 4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene

4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene (PubChem CID 159021039) has the molecular formula C122H80N20 and a molecular weight of 1826.12 g/mol. Its IUPAC name is 4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene.

Molecular Properties

Compound Name4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
PubChem CID159021039
Molecular FormulaC122H80N20
Molecular Weight1826.12 g/mol
Exact Mass1824.69
IUPAC Name4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
SMILESc1ccc(-c2nc3ccccc3n2-c2ccc3c(c2)n2c4ccccc4nc2n(-c2ccccc2)c2nc4ccccc4n32)cc1.c1ccc(-n2c(-c3ccc4c(c3)n3c5ccccc5nc3n(-c3ccccc3)c3nc5ccccc5n43)nc3ccccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cccc(-n4c5nc6ccccc6n5c5ccccc5n5c6ccccc6nc45)c3)cc2)cc1
InChIInChI=1S/C44H30N6.2C39H25N7/c1-3-15-33(16-4-1)47(34-17-5-2-6-18-34)35-28-26-31(27-29-35)32-14-13-19-36(30-32)48-43-45-37-20-7-9-22-39(37)49(43)41-24-11-12-25-42(41)50-40-23-10-8-21-38(40)46-44(48)50;1-3-13-27(14-4-1)43-32-20-10-7-17-29(32)40-37(43)26-23-24-35-36(25-26)46-34-22-12-9-19-31(34)42-39(46)44(28-15-5-2-6-16-28)38-41-30-18-8-11-21-33(30)45(35)38;1-3-13-26(14-4-1)37-40-29-17-7-10-20-32(29)43(37)28-23-24-35-36(25-28)46-34-22-12-9-19-31(34)42-39(46)44(27-15-5-2-6-16-27)38-41-30-18-8-11-21-33(30)45(35)38/h1-30H;2*1-25H
InChIKeyJTRXAURKHAQULO-UHFFFAOYSA-N
XLogP28.53
TPSA157.47 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds11
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001826.12
LogP ≤ 528.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene with MolForge

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Related Compounds

N-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-5-phenyl-N-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-amine
CID 155430382
1-N,3-N-diphenyl-5-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 139482169
N-[4-[1-(3-methylphenyl)benzimidazol-2-yl]phenyl]-N,4-diphenylaniline
CID 71143072
2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 139480020
4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 154031427
N,5-bis(4-phenylphenyl)-N-[5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazol-2-amine
CID 139482162
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139480243
N,N-diphenyl-3-(1-phenylbenzimidazol-2-yl)aniline
CID 146339319
N-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(2-phenylbenzimidazol-1-yl)phenyl]aniline
CID 121337566
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
9-[3-carbazol-9-yl-5-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole;N-[4-[3-(3-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-(4-carbazol-9-ylphenyl)-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;N-[4-[3-[3,5-di(carbazol-9-yl)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methyl-N-[4-[3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]-5-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-(4-methylphenyl)-N-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]phenyl]aniline
CID 158130026

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene?
The IUPAC name of 4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene (CID 159021039) is 4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene.
What is the SMILES notation for 4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene?
The canonical SMILES for 4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene is c1ccc(-c2nc3ccccc3n2-c2ccc3c(c2)n2c4ccccc4nc2n(-c2ccccc2)c2nc4ccccc4n32)cc1.c1ccc(-n2c(-c3ccc4c(c3)n3c5ccccc5nc3n(-c3ccccc3)c3nc5ccccc5n43)nc3ccccc32)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3cccc(-n4c5nc6ccccc6n5c5ccccc5n5c6ccccc6nc45)c3)cc2)cc1.
What is the InChIKey of 4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene?
The InChIKey is JTRXAURKHAQULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H30N6.2C39H25N7/c1-3-15-33(16-4-1)47(34-17-5-2-6-18-34)35-28-26-31(27-29-35)32-14-13-19-36(30-32)48-43-45-37-20-7-9-22-39(37)49(43)41-24-11-12-25-42(41)50-40-23-10-8-21-38(40)46-44(48)50;1-3-13-27(14-4-1)43-32-20-10-7-17-29(32)40-37(43)26-23-24-35-36(25-26)46-34-22-12-9-19-31(34)42-39(46)44(28-15-5-2-6-16-28)38-41-30-18-8-11-21-33(30)45(35)38;1-3-13-26(14-4-1)37-40-29-17-7-10-20-32(29)43(37)28-23-24-35-36(25-28)46-34-22-12-9-19-31(34)42-39(46)44(27-15-5-2-6-16-27)38-41-30-18-8-11-21-33(30)45(35)38/h1-30H;2*1-25H.
What are the key properties of 4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene?
4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene has a molecular weight of 1826.12 g/mol, XLogP of 28.53, 11 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2,4,6,9,11,13,15,18,20,22,24-undecaen-17-yl)phenyl]-N,N-diphenylaniline;17-phenyl-4-(1-phenylbenzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene;17-phenyl-4-(2-phenylbenzimidazol-1-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene is sourced from PubChem (CID 159021039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).