3-[3,5-bis[3-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]phenyl]-N-phenyl-N-[4-(3-tritiophenyl)phenyl]aniline;1-N-phenyl-1-N-[4-(3-tritiophenyl)phenyl]-4-N,4-N-bis[4-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]benzene-1,4-diamine

C150H111N7 — CID 159489320

IUPAC3-[3,5-bis[3-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]phenyl]-N-phenyl-N-[4-(3-tritiophenyl)phenyl]aniline;1-N-phenyl-1-N-[4-(3-tritiophenyl)phenyl]-4-N,4-N-bis[4-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
SMILES[3H]c1cccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccc(N(c5ccccc5)c5ccc(-c6cccc([3H])c6)cc5)cc4)c4ccc(N(c5ccccc5)c5ccc(-c6cccc([3H])c6)cc5)cc4)cc3)cc2)c1.[3H]c1cccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cc(-c5cccc(N(c6ccccc6)c6ccc(-c7cccc([3H])c7)cc6)c5)cc(-c5cccc(N(c6ccccc6)c6ccc(-c7cccc([3H])c7)cc6)c5)c4)c3)cc2)c1
InChIInChI=1S/C78H57N3.C72H54N4/c1-7-22-58(23-8-1)61-40-46-73(47-41-61)79(70-31-13-4-14-32-70)76-37-19-28-64(55-76)67-52-68(65-29-20-38-77(56-65)80(71-33-15-5-16-34-71)74-48-42-62(43-49-74)59-24-9-2-10-25-59)54-69(53-67)66-30-21-39-78(57-66)81(72-35-17-6-18-36-72)75-50-44-63(45-51-75)60-26-11-3-12-27-60;1-7-19-55(20-8-1)58-31-37-64(38-32-58)73(61-25-13-4-14-26-61)67-43-49-70(50-44-67)76(71-51-45-68(46-52-71)74(62-27-15-5-16-28-62)65-39-33-59(34-40-65)56-21-9-2-10-22-56)72-53-47-69(48-54-72)75(63-29-17-6-18-30-63)66-41-35-60(36-42-66)57-23-11-3-12-24-57/h1-57H;1-54H/i2*7T,9T,11T
InChIKeyLXZFVPCOCLSXMA-JRDWDHJXSA-N
MW2023.64 g/mol
LogP42.66
Rot. Bonds30

About 3-[3,5-bis[3-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]phenyl]-N-phenyl-N-[4-(3-tritiophenyl)phenyl]aniline;1-N-phenyl-1-N-[4-(3-tritiophenyl)phenyl]-4-N,4-N-bis[4-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]benzene-1,4-diamine

3-[3,5-bis[3-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]phenyl]-N-phenyl-N-[4-(3-tritiophenyl)phenyl]aniline;1-N-phenyl-1-N-[4-(3-tritiophenyl)phenyl]-4-N,4-N-bis[4-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]benzene-1,4-diamine (PubChem CID 159489320) has the molecular formula C150H111N7 and a molecular weight of 2023.64 g/mol. Its IUPAC name is 3-[3,5-bis[3-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]phenyl]-N-phenyl-N-[4-(3-tritiophenyl)phenyl]aniline;1-N-phenyl-1-N-[4-(3-tritiophenyl)phenyl]-4-N,4-N-bis[4-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name3-[3,5-bis[3-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]phenyl]-N-phenyl-N-[4-(3-tritiophenyl)phenyl]aniline;1-N-phenyl-1-N-[4-(3-tritiophenyl)phenyl]-4-N,4-N-bis[4-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
PubChem CID159489320
Molecular FormulaC150H111N7
Molecular Weight2023.64 g/mol
Exact Mass2021.94
IUPAC Name3-[3,5-bis[3-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]phenyl]-N-phenyl-N-[4-(3-tritiophenyl)phenyl]aniline;1-N-phenyl-1-N-[4-(3-tritiophenyl)phenyl]-4-N,4-N-bis[4-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]benzene-1,4-diamine
SMILES[3H]c1cccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccc(N(c5ccccc5)c5ccc(-c6cccc([3H])c6)cc5)cc4)c4ccc(N(c5ccccc5)c5ccc(-c6cccc([3H])c6)cc5)cc4)cc3)cc2)c1.[3H]c1cccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cc(-c5cccc(N(c6ccccc6)c6ccc(-c7cccc([3H])c7)cc6)c5)cc(-c5cccc(N(c6ccccc6)c6ccc(-c7cccc([3H])c7)cc6)c5)c4)c3)cc2)c1
InChIInChI=1S/C78H57N3.C72H54N4/c1-7-22-58(23-8-1)61-40-46-73(47-41-61)79(70-31-13-4-14-32-70)76-37-19-28-64(55-76)67-52-68(65-29-20-38-77(56-65)80(71-33-15-5-16-34-71)74-48-42-62(43-49-74)59-24-9-2-10-25-59)54-69(53-67)66-30-21-39-78(57-66)81(72-35-17-6-18-36-72)75-50-44-63(45-51-75)60-26-11-3-12-27-60;1-7-19-55(20-8-1)58-31-37-64(38-32-58)73(61-25-13-4-14-26-61)67-43-49-70(50-44-67)76(71-51-45-68(46-52-71)74(62-27-15-5-16-28-62)65-39-33-59(34-40-65)56-21-9-2-10-22-56)72-53-47-69(48-54-72)75(63-29-17-6-18-30-63)66-41-35-60(36-42-66)57-23-11-3-12-24-57/h1-57H;1-54H/i2*7T,9T,11T
InChIKeyLXZFVPCOCLSXMA-JRDWDHJXSA-N
XLogP42.66
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds30
Heavy Atoms157
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002023.64
LogP ≤ 542.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3,5-bis[3-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]phenyl]-N-phenyl-N-[4-(3-tritiophenyl)phenyl]aniline;1-N-phenyl-1-N-[4-(3-tritiophenyl)phenyl]-4-N,4-N-bis[4-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]benzene-1,4-diamine with MolForge

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Related Compounds

N-[3-[3,5-bis[3-(4-phenyl-N-(3-tritiophenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-3-tritioaniline;4-N-(4-phenylphenyl)-1-N,1-N-bis[4-(4-phenyl-N-(3-tritiophenyl)anilino)phenyl]-4-N-(3-tritiophenyl)benzene-1,4-diamine;N-phenyl-3-tritio-N-[4-[4-[N-(3-tritiophenyl)-4-[4-(N-(3-tritiophenyl)anilino)phenyl]anilino]phenyl]phenyl]aniline
CID 159667665
N-[3-[3,5-bis[3-(4-phenyl-N-(3-tritiophenyl)anilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)-3-tritioaniline
CID 59196957
3-phenyl-N-(4-phenylphenyl)-N-(3-tritiophenyl)aniline
CID 59196961
3-[4-(N-phenylanilino)phenyl]-N-[4-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 126502501
N,N-diphenyl-3-[3-[3-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 118689272
N,3-diphenyl-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 59090384
N,3-diphenyl-N-[4-[4-(N-[4-[4-(N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 22013506
N,N-diphenyl-3-[4-[3-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline;N,N-diphenyl-3-[4-[3-(N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[3-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline;N-phenyl-3-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]aniline
CID 159305688
N-phenyl-4-(3-tritiophenyl)-N-[4-(3-tritiophenyl)phenyl]aniline
CID 59197011
N,N-diphenylaniline;N,4-diphenyl-N-(4-phenylphenyl)aniline;ethane;3-phenyl-N,N-bis(3-phenylphenyl)aniline;4-phenyl-N,N-bis(4-phenylphenyl)aniline;N,N,4-triphenylaniline;N,3,5-triphenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 159185873
N-(4-phenylphenyl)-3-tritio-N-[4-(3-tritiophenyl)phenyl]aniline
CID 59196859
N-[4-[4-(N-[4-(3,5-diphenylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline;3,5-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(3-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 161155086

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[3-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]phenyl]-N-phenyl-N-[4-(3-tritiophenyl)phenyl]aniline;1-N-phenyl-1-N-[4-(3-tritiophenyl)phenyl]-4-N,4-N-bis[4-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]benzene-1,4-diamine?
The IUPAC name of 3-[3,5-bis[3-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]phenyl]-N-phenyl-N-[4-(3-tritiophenyl)phenyl]aniline;1-N-phenyl-1-N-[4-(3-tritiophenyl)phenyl]-4-N,4-N-bis[4-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]benzene-1,4-diamine (CID 159489320) is 3-[3,5-bis[3-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]phenyl]-N-phenyl-N-[4-(3-tritiophenyl)phenyl]aniline;1-N-phenyl-1-N-[4-(3-tritiophenyl)phenyl]-4-N,4-N-bis[4-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 3-[3,5-bis[3-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]phenyl]-N-phenyl-N-[4-(3-tritiophenyl)phenyl]aniline;1-N-phenyl-1-N-[4-(3-tritiophenyl)phenyl]-4-N,4-N-bis[4-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]benzene-1,4-diamine?
The canonical SMILES for 3-[3,5-bis[3-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]phenyl]-N-phenyl-N-[4-(3-tritiophenyl)phenyl]aniline;1-N-phenyl-1-N-[4-(3-tritiophenyl)phenyl]-4-N,4-N-bis[4-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]benzene-1,4-diamine is [3H]c1cccc(-c2ccc(N(c3ccccc3)c3ccc(N(c4ccc(N(c5ccccc5)c5ccc(-c6cccc([3H])c6)cc5)cc4)c4ccc(N(c5ccccc5)c5ccc(-c6cccc([3H])c6)cc5)cc4)cc3)cc2)c1.[3H]c1cccc(-c2ccc(N(c3ccccc3)c3cccc(-c4cc(-c5cccc(N(c6ccccc6)c6ccc(-c7cccc([3H])c7)cc6)c5)cc(-c5cccc(N(c6ccccc6)c6ccc(-c7cccc([3H])c7)cc6)c5)c4)c3)cc2)c1.
What is the InChIKey of 3-[3,5-bis[3-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]phenyl]-N-phenyl-N-[4-(3-tritiophenyl)phenyl]aniline;1-N-phenyl-1-N-[4-(3-tritiophenyl)phenyl]-4-N,4-N-bis[4-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]benzene-1,4-diamine?
The InChIKey is LXZFVPCOCLSXMA-JRDWDHJXSA-N. The full InChI is InChI=1S/C78H57N3.C72H54N4/c1-7-22-58(23-8-1)61-40-46-73(47-41-61)79(70-31-13-4-14-32-70)76-37-19-28-64(55-76)67-52-68(65-29-20-38-77(56-65)80(71-33-15-5-16-34-71)74-48-42-62(43-49-74)59-24-9-2-10-25-59)54-69(53-67)66-30-21-39-78(57-66)81(72-35-17-6-18-36-72)75-50-44-63(45-51-75)60-26-11-3-12-27-60;1-7-19-55(20-8-1)58-31-37-64(38-32-58)73(61-25-13-4-14-26-61)67-43-49-70(50-44-67)76(71-51-45-68(46-52-71)74(62-27-15-5-16-28-62)65-39-33-59(34-40-65)56-21-9-2-10-22-56)72-53-47-69(48-54-72)75(63-29-17-6-18-30-63)66-41-35-60(36-42-66)57-23-11-3-12-24-57/h1-57H;1-54H/i2*7T,9T,11T.
What are the key properties of 3-[3,5-bis[3-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]phenyl]-N-phenyl-N-[4-(3-tritiophenyl)phenyl]aniline;1-N-phenyl-1-N-[4-(3-tritiophenyl)phenyl]-4-N,4-N-bis[4-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]benzene-1,4-diamine?
3-[3,5-bis[3-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]phenyl]-N-phenyl-N-[4-(3-tritiophenyl)phenyl]aniline;1-N-phenyl-1-N-[4-(3-tritiophenyl)phenyl]-4-N,4-N-bis[4-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]benzene-1,4-diamine has a molecular weight of 2023.64 g/mol, XLogP of 42.66, 30 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis[3-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]phenyl]-N-phenyl-N-[4-(3-tritiophenyl)phenyl]aniline;1-N-phenyl-1-N-[4-(3-tritiophenyl)phenyl]-4-N,4-N-bis[4-(N-[4-(3-tritiophenyl)phenyl]anilino)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 159489320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).