N-[4-[2-methyl-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-4,5,6,7-tetrahydroisoindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C69H55N3 — CID 90058045

IUPACN-[4-[2-methyl-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-4,5,6,7-tetrahydroisoindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCn1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c2c(c1-c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc1)CCCC2
InChIInChI=1S/C69H55N3/c1-70-68(58-34-46-64(47-35-58)71(60-38-26-54(27-39-60)50-16-6-2-7-17-50)61-40-28-55(29-41-61)51-18-8-3-9-19-51)66-24-14-15-25-67(66)69(70)59-36-48-65(49-37-59)72(62-42-30-56(31-43-62)52-20-10-4-11-21-52)63-44-32-57(33-45-63)53-22-12-5-13-23-53/h2-13,16-23,26-49H,14-15,24-25H2,1H3
InChIKeyCMODFMZXBFAEJY-UHFFFAOYSA-N
MW926.22 g/mol
LogP18.85
Rot. Bonds12

About N-[4-[2-methyl-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-4,5,6,7-tetrahydroisoindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-[2-methyl-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-4,5,6,7-tetrahydroisoindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 90058045) has the molecular formula C69H55N3 and a molecular weight of 926.22 g/mol. Its IUPAC name is N-[4-[2-methyl-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-4,5,6,7-tetrahydroisoindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[2-methyl-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-4,5,6,7-tetrahydroisoindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID90058045
Molecular FormulaC69H55N3
Molecular Weight926.22 g/mol
Exact Mass925.44
IUPAC NameN-[4-[2-methyl-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-4,5,6,7-tetrahydroisoindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESCn1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c2c(c1-c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc1)CCCC2
InChIInChI=1S/C69H55N3/c1-70-68(58-34-46-64(47-35-58)71(60-38-26-54(27-39-60)50-16-6-2-7-17-50)61-40-28-55(29-41-61)51-18-8-3-9-19-51)66-24-14-15-25-67(66)69(70)59-36-48-65(49-37-59)72(62-42-30-56(31-43-62)52-20-10-4-11-21-52)63-44-32-57(33-45-63)53-22-12-5-13-23-53/h2-13,16-23,26-49H,14-15,24-25H2,1H3
InChIKeyCMODFMZXBFAEJY-UHFFFAOYSA-N
XLogP18.85
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.22
LogP ≤ 518.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-(4-phenylphenyl)-N-[4-[10-(4-phenylphenyl)-1,2,3,4,5,6,7,8-octahydroanthracen-9-yl]phenyl]aniline
CID 118178056
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methyl-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-4,5,6,7-tetrahydroisoindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[2-methyl-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-4,5,6,7-tetrahydroisoindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 90058045) is N-[4-[2-methyl-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-4,5,6,7-tetrahydroisoindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[2-methyl-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-4,5,6,7-tetrahydroisoindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[2-methyl-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-4,5,6,7-tetrahydroisoindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is Cn1c(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)c2c(c1-c1ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc1)CCCC2.
What is the InChIKey of N-[4-[2-methyl-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-4,5,6,7-tetrahydroisoindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is CMODFMZXBFAEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H55N3/c1-70-68(58-34-46-64(47-35-58)71(60-38-26-54(27-39-60)50-16-6-2-7-17-50)61-40-28-55(29-41-61)51-18-8-3-9-19-51)66-24-14-15-25-67(66)69(70)59-36-48-65(49-37-59)72(62-42-30-56(31-43-62)52-20-10-4-11-21-52)63-44-32-57(33-45-63)53-22-12-5-13-23-53/h2-13,16-23,26-49H,14-15,24-25H2,1H3.
What are the key properties of N-[4-[2-methyl-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-4,5,6,7-tetrahydroisoindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-[2-methyl-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-4,5,6,7-tetrahydroisoindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 926.22 g/mol, XLogP of 18.85, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methyl-3-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]-4,5,6,7-tetrahydroisoindol-1-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 90058045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).