N-[4-[4-[4-[N-[4-[4-[4-bis(4-methylphenyl)phosphanylphenyl]phenyl]phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C77H63N2P — CID 134954989

IUPACN-[4-[4-[4-[N-[4-[4-[4-bis(4-methylphenyl)phosphanylphenyl]phenyl]phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)cc3)c3ccc(-c4ccc(-c5ccc(P(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C77H63N2P/c1-54-6-16-59(17-7-54)64-26-40-72(41-27-64)79(73-44-30-66(31-45-73)61-20-18-60(19-21-61)65-28-42-71(43-29-65)78(69-36-8-55(2)9-37-69)70-38-10-56(3)11-39-70)74-46-32-67(33-47-74)62-22-24-63(25-23-62)68-34-52-77(53-35-68)80(75-48-12-57(4)13-49-75)76-50-14-58(5)15-51-76/h6-53H,1-5H3
InChIKeyXRFCGORHBRXKQY-UHFFFAOYSA-N
MW1047.34 g/mol
LogP20.26
Rot. Bonds14

About N-[4-[4-[4-[N-[4-[4-[4-bis(4-methylphenyl)phosphanylphenyl]phenyl]phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[4-[4-[N-[4-[4-[4-bis(4-methylphenyl)phosphanylphenyl]phenyl]phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 134954989) has the molecular formula C77H63N2P and a molecular weight of 1047.34 g/mol. Its IUPAC name is N-[4-[4-[4-[N-[4-[4-[4-bis(4-methylphenyl)phosphanylphenyl]phenyl]phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[4-[4-[N-[4-[4-[4-bis(4-methylphenyl)phosphanylphenyl]phenyl]phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID134954989
Molecular FormulaC77H63N2P
Molecular Weight1047.34 g/mol
Exact Mass1046.47
IUPAC NameN-[4-[4-[4-[N-[4-[4-[4-bis(4-methylphenyl)phosphanylphenyl]phenyl]phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)cc3)c3ccc(-c4ccc(-c5ccc(P(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1
InChIInChI=1S/C77H63N2P/c1-54-6-16-59(17-7-54)64-26-40-72(41-27-64)79(73-44-30-66(31-45-73)61-20-18-60(19-21-61)65-28-42-71(43-29-65)78(69-36-8-55(2)9-37-69)70-38-10-56(3)11-39-70)74-46-32-67(33-47-74)62-22-24-63(25-23-62)68-34-52-77(53-35-68)80(75-48-12-57(4)13-49-75)76-50-14-58(5)15-51-76/h6-53H,1-5H3
InChIKeyXRFCGORHBRXKQY-UHFFFAOYSA-N
XLogP20.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001047.34
LogP ≤ 520.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
4-methyl-N-[4-[4-(4-methyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 19604781
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
cobalt(2+);bis(tris(4-methylphenyl)phosphane);dichloride
CID 161245317
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
CID 22013286
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421
N-(4-tert-butylphenyl)-N-[4-(4-tert-butylphenyl)phenyl]-4-methylaniline
CID 134425789
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 54118518

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-[N-[4-[4-[4-bis(4-methylphenyl)phosphanylphenyl]phenyl]phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[4-[4-[N-[4-[4-[4-bis(4-methylphenyl)phosphanylphenyl]phenyl]phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 134954989) is N-[4-[4-[4-[N-[4-[4-[4-bis(4-methylphenyl)phosphanylphenyl]phenyl]phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[4-[4-[N-[4-[4-[4-bis(4-methylphenyl)phosphanylphenyl]phenyl]phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[4-[4-[N-[4-[4-[4-bis(4-methylphenyl)phosphanylphenyl]phenyl]phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(-c2ccc(N(c3ccc(-c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)cc3)c3ccc(-c4ccc(-c5ccc(P(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.
What is the InChIKey of N-[4-[4-[4-[N-[4-[4-[4-bis(4-methylphenyl)phosphanylphenyl]phenyl]phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is XRFCGORHBRXKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H63N2P/c1-54-6-16-59(17-7-54)64-26-40-72(41-27-64)79(73-44-30-66(31-45-73)61-20-18-60(19-21-61)65-28-42-71(43-29-65)78(69-36-8-55(2)9-37-69)70-38-10-56(3)11-39-70)74-46-32-67(33-47-74)62-22-24-63(25-23-62)68-34-52-77(53-35-68)80(75-48-12-57(4)13-49-75)76-50-14-58(5)15-51-76/h6-53H,1-5H3.
What are the key properties of N-[4-[4-[4-[N-[4-[4-[4-bis(4-methylphenyl)phosphanylphenyl]phenyl]phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[4-[4-[N-[4-[4-[4-bis(4-methylphenyl)phosphanylphenyl]phenyl]phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 1047.34 g/mol, XLogP of 20.26, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-[N-[4-[4-[4-bis(4-methylphenyl)phosphanylphenyl]phenyl]phenyl]-4-(4-methylphenyl)anilino]phenyl]phenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 134954989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).