N-[4-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-[3-[4-(N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]aniline

C84H58N8O2 — CID 89177139

IUPACN-[4-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-[3-[4-(N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]aniline
SMILESC1=CC(c2nnc(-c3ccc(N(c4ccccc4)c4ccc(-c5nc6cc(-c7ccc(-c8ccccc8)cc7)c(-c7ccc(-c8ccccc8)cc7)cc6nc5-c5ccc(N(c6ccccc6)c6ccc(-c7nnc(-c8ccccc8)o7)cc6)cc5)cc4)cc3)o2)=CCC1
InChIInChI=1S/C84H58N8O2/c1-7-19-57(20-8-1)59-31-35-61(36-32-59)75-55-77-78(56-76(75)62-37-33-60(34-38-62)58-21-9-2-10-22-58)86-80(64-41-49-72(50-42-64)92(70-29-17-6-18-30-70)74-53-45-68(46-54-74)84-90-88-82(94-84)66-25-13-4-14-26-66)79(85-77)63-39-47-71(48-40-63)91(69-27-15-5-16-28-69)73-51-43-67(44-52-73)83-89-87-81(93-83)65-23-11-3-12-24-65/h1-3,5-13,15-56H,4,14H2
InChIKeyAQLWXADUELNZCH-UHFFFAOYSA-N
MW1211.44 g/mol
LogP22.07
Rot. Bonds16

About N-[4-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-[3-[4-(N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]aniline

N-[4-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-[3-[4-(N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]aniline (PubChem CID 89177139) has the molecular formula C84H58N8O2 and a molecular weight of 1211.44 g/mol. Its IUPAC name is N-[4-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-[3-[4-(N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]aniline.

Molecular Properties

Compound NameN-[4-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-[3-[4-(N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]aniline
PubChem CID89177139
Molecular FormulaC84H58N8O2
Molecular Weight1211.44 g/mol
Exact Mass1210.47
IUPAC NameN-[4-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-[3-[4-(N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]aniline
SMILESC1=CC(c2nnc(-c3ccc(N(c4ccccc4)c4ccc(-c5nc6cc(-c7ccc(-c8ccccc8)cc7)c(-c7ccc(-c8ccccc8)cc7)cc6nc5-c5ccc(N(c6ccccc6)c6ccc(-c7nnc(-c8ccccc8)o7)cc6)cc5)cc4)cc3)o2)=CCC1
InChIInChI=1S/C84H58N8O2/c1-7-19-57(20-8-1)59-31-35-61(36-32-59)75-55-77-78(56-76(75)62-37-33-60(34-38-62)58-21-9-2-10-22-58)86-80(64-41-49-72(50-42-64)92(70-29-17-6-18-30-70)74-53-45-68(46-54-74)84-90-88-82(94-84)66-25-13-4-14-26-66)79(85-77)63-39-47-71(48-40-63)91(69-27-15-5-16-28-69)73-51-43-67(44-52-73)83-89-87-81(93-83)65-23-11-3-12-24-65/h1-3,5-13,15-56H,4,14H2
InChIKeyAQLWXADUELNZCH-UHFFFAOYSA-N
XLogP22.07
TPSA110.10 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001211.44
LogP ≤ 522.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze N-[4-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-[3-[4-(N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]aniline with MolForge

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Related Compounds

4-[2-[4-(N-(4-cyclohexa-1,5-dien-1-ylphenyl)anilino)phenyl]phenyl]-N,3-diphenyl-N-(4-phenylphenyl)aniline
CID 155393010
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-3-phenyl-N,N-bis[3-phenyl-4-(4-phenylphenyl)phenyl]aniline
CID 166990153
4-phenyl-N-[4-[2-[2-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 59228387
N,N-diphenyl-4-[5-[4-(N-phenylanilino)phenyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19808215
N,N-diphenyl-4-[2-[2-[4-[5-(3-phenylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]aniline
CID 59228303
N-cyclohexa-1,5-dien-1-yl-4-[4-[N-cyclohexa-1,5-dien-1-yl-4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]anilino]phenyl]-N-phenylaniline
CID 139394363
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
4-cyclohexa-1,5-dien-1-yl-N-[4-(3-phenylnaphthalen-1-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 175611148
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-methyl-N-(4-phenylphenyl)aniline
CID 129111085
N-(4-cyclohexa-1,5-dien-1-ylphenyl)-N-(4-phenylphenyl)-3-[9-[3-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]fluoren-9-yl]aniline
CID 145084846
4-phenyl-N-(4-phenylphenyl)-N-[4-[3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]quinoxalin-2-yl]phenyl]aniline
CID 58370929
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

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-[3-[4-(N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]aniline?
The IUPAC name of N-[4-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-[3-[4-(N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]aniline (CID 89177139) is N-[4-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-[3-[4-(N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]aniline.
What is the SMILES notation for N-[4-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-[3-[4-(N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]aniline?
The canonical SMILES for N-[4-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-[3-[4-(N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]aniline is C1=CC(c2nnc(-c3ccc(N(c4ccccc4)c4ccc(-c5nc6cc(-c7ccc(-c8ccccc8)cc7)c(-c7ccc(-c8ccccc8)cc7)cc6nc5-c5ccc(N(c6ccccc6)c6ccc(-c7nnc(-c8ccccc8)o7)cc6)cc5)cc4)cc3)o2)=CCC1.
What is the InChIKey of N-[4-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-[3-[4-(N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]aniline?
The InChIKey is AQLWXADUELNZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H58N8O2/c1-7-19-57(20-8-1)59-31-35-61(36-32-59)75-55-77-78(56-76(75)62-37-33-60(34-38-62)58-21-9-2-10-22-58)86-80(64-41-49-72(50-42-64)92(70-29-17-6-18-30-70)74-53-45-68(46-54-74)84-90-88-82(94-84)66-25-13-4-14-26-66)79(85-77)63-39-47-71(48-40-63)91(69-27-15-5-16-28-69)73-51-43-67(44-52-73)83-89-87-81(93-83)65-23-11-3-12-24-65/h1-3,5-13,15-56H,4,14H2.
What are the key properties of N-[4-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-[3-[4-(N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]aniline?
N-[4-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-[3-[4-(N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]aniline has a molecular weight of 1211.44 g/mol, XLogP of 22.07, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-cyclohexa-1,5-dien-1-yl-1,3,4-oxadiazol-2-yl)phenyl]-N-phenyl-4-[3-[4-(N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]anilino)phenyl]-6,7-bis(4-phenylphenyl)quinoxalin-2-yl]aniline is sourced from PubChem (CID 89177139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).