N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaen-7-yl]aniline;N,N-diphenyl-4-[2,3,7-tris[4-(N-phenylanilino)phenyl]pyrazino[2,3-b]quinoxalin-8-yl]aniline;N,N-diphenyl-4-[2,3,8-tris[4-(N-phenylanilino)phenyl]quinoxalino[6,7-g]quinoxalin-9-yl]aniline

C218H150N26 — CID 162003036

IUPACN,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaen-7-yl]aniline;N,N-diphenyl-4-[2,3,7-tris[4-(N-phenylanilino)phenyl]pyrazino[2,3-b]quinoxalin-8-yl]aniline;N,N-diphenyl-4-[2,3,8-tris[4-(N-phenylanilino)phenyl]quinoxalino[6,7-g]quinoxalin-9-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4nc5nc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)nc5nc4cc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3nc4cc5cc6nc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)c(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)nc6cc5cc4nc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3nc4nc5cc6nc7nccnc7nc6cc5nc4nc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C86H60N8.C82H58N8.C50H32N10/c1-9-25-67(26-10-1)91(68-27-11-2-12-28-68)75-49-41-61(42-50-75)83-84(62-43-51-76(52-44-62)92(69-29-13-3-14-30-69)70-31-15-4-16-32-70)88-80-58-66-60-82-81(59-65(66)57-79(80)87-83)89-85(63-45-53-77(54-46-63)93(71-33-17-5-18-34-71)72-35-19-6-20-36-72)86(90-82)64-47-55-78(56-48-64)94(73-37-21-7-22-38-73)74-39-23-8-24-40-74;1-9-25-63(26-10-1)87(64-27-11-2-12-28-64)71-49-41-59(42-50-71)75-57-77-78(58-76(75)60-43-51-72(52-44-60)88(65-29-13-3-14-30-65)66-31-15-4-16-32-66)84-82-81(83-77)85-79(61-45-53-73(54-46-61)89(67-33-17-5-18-34-67)68-35-19-6-20-36-68)80(86-82)62-47-55-74(56-48-62)90(69-37-21-7-22-38-69)70-39-23-8-24-40-70;1-5-13-35(14-6-1)59(36-15-7-2-8-16-36)39-25-21-33(22-26-39)45-46(34-23-27-40(28-24-34)60(37-17-9-3-10-18-37)38-19-11-4-12-20-38)58-50-49(57-45)55-43-31-41-42(32-44(43)56-50)54-48-47(53-41)51-29-30-52-48/h1-60H;1-58H;1-32H
InChIKeyYSLVCSVNLLQQAO-UHFFFAOYSA-N
MW3133.78 g/mol
LogP57.13
Rot. Bonds40

About N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaen-7-yl]aniline;N,N-diphenyl-4-[2,3,7-tris[4-(N-phenylanilino)phenyl]pyrazino[2,3-b]quinoxalin-8-yl]aniline;N,N-diphenyl-4-[2,3,8-tris[4-(N-phenylanilino)phenyl]quinoxalino[6,7-g]quinoxalin-9-yl]aniline

N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaen-7-yl]aniline;N,N-diphenyl-4-[2,3,7-tris[4-(N-phenylanilino)phenyl]pyrazino[2,3-b]quinoxalin-8-yl]aniline;N,N-diphenyl-4-[2,3,8-tris[4-(N-phenylanilino)phenyl]quinoxalino[6,7-g]quinoxalin-9-yl]aniline (PubChem CID 162003036) has the molecular formula C218H150N26 and a molecular weight of 3133.78 g/mol. Its IUPAC name is N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaen-7-yl]aniline;N,N-diphenyl-4-[2,3,7-tris[4-(N-phenylanilino)phenyl]pyrazino[2,3-b]quinoxalin-8-yl]aniline;N,N-diphenyl-4-[2,3,8-tris[4-(N-phenylanilino)phenyl]quinoxalino[6,7-g]quinoxalin-9-yl]aniline.

Molecular Properties

Compound NameN,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaen-7-yl]aniline;N,N-diphenyl-4-[2,3,7-tris[4-(N-phenylanilino)phenyl]pyrazino[2,3-b]quinoxalin-8-yl]aniline;N,N-diphenyl-4-[2,3,8-tris[4-(N-phenylanilino)phenyl]quinoxalino[6,7-g]quinoxalin-9-yl]aniline
PubChem CID162003036
Molecular FormulaC218H150N26
Molecular Weight3133.78 g/mol
Exact Mass3131.25
IUPAC NameN,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaen-7-yl]aniline;N,N-diphenyl-4-[2,3,7-tris[4-(N-phenylanilino)phenyl]pyrazino[2,3-b]quinoxalin-8-yl]aniline;N,N-diphenyl-4-[2,3,8-tris[4-(N-phenylanilino)phenyl]quinoxalino[6,7-g]quinoxalin-9-yl]aniline
SMILESc1ccc(N(c2ccccc2)c2ccc(-c3cc4nc5nc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)nc5nc4cc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3nc4cc5cc6nc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)c(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)nc6cc5cc4nc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3nc4nc5cc6nc7nccnc7nc6cc5nc4nc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C86H60N8.C82H58N8.C50H32N10/c1-9-25-67(26-10-1)91(68-27-11-2-12-28-68)75-49-41-61(42-50-75)83-84(62-43-51-76(52-44-62)92(69-29-13-3-14-30-69)70-31-15-4-16-32-70)88-80-58-66-60-82-81(59-65(66)57-79(80)87-83)89-85(63-45-53-77(54-46-63)93(71-33-17-5-18-34-71)72-35-19-6-20-36-72)86(90-82)64-47-55-78(56-48-64)94(73-37-21-7-22-38-73)74-39-23-8-24-40-74;1-9-25-63(26-10-1)87(64-27-11-2-12-28-64)71-49-41-59(42-50-71)75-57-77-78(58-76(75)60-43-51-72(52-44-60)88(65-29-13-3-14-30-65)66-31-15-4-16-32-66)84-82-81(83-77)85-79(61-45-53-73(54-46-61)89(67-33-17-5-18-34-67)68-35-19-6-20-36-68)80(86-82)62-47-55-74(56-48-62)90(69-37-21-7-22-38-69)70-39-23-8-24-40-70;1-5-13-35(14-6-1)59(36-15-7-2-8-16-36)39-25-21-33(22-26-39)45-46(34-23-27-40(28-24-34)60(37-17-9-3-10-18-37)38-19-11-4-12-20-38)58-50-49(57-45)55-43-31-41-42(32-44(43)56-50)54-48-47(53-41)51-29-30-52-48/h1-60H;1-58H;1-32H
InChIKeyYSLVCSVNLLQQAO-UHFFFAOYSA-N
XLogP57.13
TPSA238.64 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds40
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003133.78
LogP ≤ 557.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaen-7-yl]aniline;N,N-diphenyl-4-[2,3,7-tris[4-(N-phenylanilino)phenyl]pyrazino[2,3-b]quinoxalin-8-yl]aniline;N,N-diphenyl-4-[2,3,8-tris[4-(N-phenylanilino)phenyl]quinoxalino[6,7-g]quinoxalin-9-yl]aniline 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

4-[4-[2,6-bis[4-(N-phenylanilino)phenyl]-3-[4-[4-(N-phenylanilino)phenyl]phenyl]pyrazino[2,3-b]pyrazin-7-yl]phenyl]-N,N-diphenylaniline
CID 122679799
N,N-diphenyl-4-[4-[3-[4-[4-(N-phenylanilino)-2-(4-phenylphenyl)phenyl]phenyl]quinoxalin-2-yl]phenyl]-3-(4-phenylphenyl)aniline
CID 59702515
2,3-diphenylpyrazino[2,3-b]pyrazine
CID 141468009
2,3-bis[4-(N-phenylanilino)phenyl]quinoxaline-6,7-dicarbonitrile
CID 156781139
4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline
CID 58370929
4-N-[4-(3,8-diphenylquinoxalin-2-yl)phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59259780
1-N,4-N-diphenyl-4-N-(2-phenylphenyl)-1-N-[4-(3-phenylquinoxalin-2-yl)phenyl]benzene-1,4-diamine
CID 59259894
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
7-[5-[4-[3-[4-[5-[9,9-diethyl-7-(N-phenylanilino)fluoren-2-yl]thiophen-2-yl]phenyl]pyrido[2,3-b]pyrazin-2-yl]phenyl]thiophen-2-yl]-9,9-diethyl-N,N-diphenylfluoren-2-amine
CID 101215400
N,3-diphenyl-N-[4-[4-[3-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]quinoxalin-2-yl]phenyl]phenyl]aniline
CID 59702508
4-phenyl-N-(4-phenylphenyl)-N-[4-(3-phenylquinolin-2-yl)phenyl]aniline
CID 170652751
N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]quinoxalin-5-yl]aniline
CID 102293177

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaen-7-yl]aniline;N,N-diphenyl-4-[2,3,7-tris[4-(N-phenylanilino)phenyl]pyrazino[2,3-b]quinoxalin-8-yl]aniline;N,N-diphenyl-4-[2,3,8-tris[4-(N-phenylanilino)phenyl]quinoxalino[6,7-g]quinoxalin-9-yl]aniline?
The IUPAC name of N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaen-7-yl]aniline;N,N-diphenyl-4-[2,3,7-tris[4-(N-phenylanilino)phenyl]pyrazino[2,3-b]quinoxalin-8-yl]aniline;N,N-diphenyl-4-[2,3,8-tris[4-(N-phenylanilino)phenyl]quinoxalino[6,7-g]quinoxalin-9-yl]aniline (CID 162003036) is N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaen-7-yl]aniline;N,N-diphenyl-4-[2,3,7-tris[4-(N-phenylanilino)phenyl]pyrazino[2,3-b]quinoxalin-8-yl]aniline;N,N-diphenyl-4-[2,3,8-tris[4-(N-phenylanilino)phenyl]quinoxalino[6,7-g]quinoxalin-9-yl]aniline.
What is the SMILES notation for N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaen-7-yl]aniline;N,N-diphenyl-4-[2,3,7-tris[4-(N-phenylanilino)phenyl]pyrazino[2,3-b]quinoxalin-8-yl]aniline;N,N-diphenyl-4-[2,3,8-tris[4-(N-phenylanilino)phenyl]quinoxalino[6,7-g]quinoxalin-9-yl]aniline?
The canonical SMILES for N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaen-7-yl]aniline;N,N-diphenyl-4-[2,3,7-tris[4-(N-phenylanilino)phenyl]pyrazino[2,3-b]quinoxalin-8-yl]aniline;N,N-diphenyl-4-[2,3,8-tris[4-(N-phenylanilino)phenyl]quinoxalino[6,7-g]quinoxalin-9-yl]aniline is c1ccc(N(c2ccccc2)c2ccc(-c3cc4nc5nc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)c(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)nc5nc4cc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3nc4cc5cc6nc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)c(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)nc6cc5cc4nc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.c1ccc(N(c2ccccc2)c2ccc(-c3nc4nc5cc6nc7nccnc7nc6cc5nc4nc3-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaen-7-yl]aniline;N,N-diphenyl-4-[2,3,7-tris[4-(N-phenylanilino)phenyl]pyrazino[2,3-b]quinoxalin-8-yl]aniline;N,N-diphenyl-4-[2,3,8-tris[4-(N-phenylanilino)phenyl]quinoxalino[6,7-g]quinoxalin-9-yl]aniline?
The InChIKey is YSLVCSVNLLQQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H60N8.C82H58N8.C50H32N10/c1-9-25-67(26-10-1)91(68-27-11-2-12-28-68)75-49-41-61(42-50-75)83-84(62-43-51-76(52-44-62)92(69-29-13-3-14-30-69)70-31-15-4-16-32-70)88-80-58-66-60-82-81(59-65(66)57-79(80)87-83)89-85(63-45-53-77(54-46-63)93(71-33-17-5-18-34-71)72-35-19-6-20-36-72)86(90-82)64-47-55-78(56-48-64)94(73-37-21-7-22-38-73)74-39-23-8-24-40-74;1-9-25-63(26-10-1)87(64-27-11-2-12-28-64)71-49-41-59(42-50-71)75-57-77-78(58-76(75)60-43-51-72(52-44-60)88(65-29-13-3-14-30-65)66-31-15-4-16-32-66)84-82-81(83-77)85-79(61-45-53-73(54-46-61)89(67-33-17-5-18-34-67)68-35-19-6-20-36-68)80(86-82)62-47-55-74(56-48-62)90(69-37-21-7-22-38-69)70-39-23-8-24-40-70;1-5-13-35(14-6-1)59(36-15-7-2-8-16-36)39-25-21-33(22-26-39)45-46(34-23-27-40(28-24-34)60(37-17-9-3-10-18-37)38-19-11-4-12-20-38)58-50-49(57-45)55-43-31-41-42(32-44(43)56-50)54-48-47(53-41)51-29-30-52-48/h1-60H;1-58H;1-32H.
What are the key properties of N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaen-7-yl]aniline;N,N-diphenyl-4-[2,3,7-tris[4-(N-phenylanilino)phenyl]pyrazino[2,3-b]quinoxalin-8-yl]aniline;N,N-diphenyl-4-[2,3,8-tris[4-(N-phenylanilino)phenyl]quinoxalino[6,7-g]quinoxalin-9-yl]aniline?
N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaen-7-yl]aniline;N,N-diphenyl-4-[2,3,7-tris[4-(N-phenylanilino)phenyl]pyrazino[2,3-b]quinoxalin-8-yl]aniline;N,N-diphenyl-4-[2,3,8-tris[4-(N-phenylanilino)phenyl]quinoxalino[6,7-g]quinoxalin-9-yl]aniline has a molecular weight of 3133.78 g/mol, XLogP of 57.13, 40 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-4-[8-[4-(N-phenylanilino)phenyl]-4,6,9,11,15,17,20,22-octazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),2,4,6,8,10,12,14,16,18,20-undecaen-7-yl]aniline;N,N-diphenyl-4-[2,3,7-tris[4-(N-phenylanilino)phenyl]pyrazino[2,3-b]quinoxalin-8-yl]aniline;N,N-diphenyl-4-[2,3,8-tris[4-(N-phenylanilino)phenyl]quinoxalino[6,7-g]quinoxalin-9-yl]aniline is sourced from PubChem (CID 162003036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).