2-[4-(2-hydroxypropan-2-yl)-2-[4-(N-[4-[2-(2-hydroxypropan-2-yl)-4-naphthalen-1-ylphenyl]phenyl]-4-methylanilino)phenyl]-5-naphthalen-1-ylphenyl]propan-2-ol

C60H55NO3 — CID 153437165

IUPAC2-[4-(2-hydroxypropan-2-yl)-2-[4-(N-[4-[2-(2-hydroxypropan-2-yl)-4-naphthalen-1-ylphenyl]phenyl]-4-methylanilino)phenyl]-5-naphthalen-1-ylphenyl]propan-2-ol
SMILESCc1ccc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3C(C)(C)O)cc2)c2ccc(-c3cc(C(C)(C)O)c(-c4cccc5ccccc45)cc3C(C)(C)O)cc2)cc1
InChIInChI=1S/C60H55NO3/c1-39-22-29-45(30-23-39)61(46-31-24-42(25-32-46)51-35-28-44(36-55(51)58(2,3)62)50-20-12-16-40-14-8-10-18-48(40)50)47-33-26-43(27-34-47)53-37-57(60(6,7)64)54(38-56(53)59(4,5)63)52-21-13-17-41-15-9-11-19-49(41)52/h8-38,62-64H,1-7H3
InChIKeyZICIWZMUNLDYMQ-UHFFFAOYSA-N
MW838.10 g/mol
LogP15.12
Rot. Bonds10

About 2-[4-(2-hydroxypropan-2-yl)-2-[4-(N-[4-[2-(2-hydroxypropan-2-yl)-4-naphthalen-1-ylphenyl]phenyl]-4-methylanilino)phenyl]-5-naphthalen-1-ylphenyl]propan-2-ol

2-[4-(2-hydroxypropan-2-yl)-2-[4-(N-[4-[2-(2-hydroxypropan-2-yl)-4-naphthalen-1-ylphenyl]phenyl]-4-methylanilino)phenyl]-5-naphthalen-1-ylphenyl]propan-2-ol (PubChem CID 153437165) has the molecular formula C60H55NO3 and a molecular weight of 838.10 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropan-2-yl)-2-[4-(N-[4-[2-(2-hydroxypropan-2-yl)-4-naphthalen-1-ylphenyl]phenyl]-4-methylanilino)phenyl]-5-naphthalen-1-ylphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2-hydroxypropan-2-yl)-2-[4-(N-[4-[2-(2-hydroxypropan-2-yl)-4-naphthalen-1-ylphenyl]phenyl]-4-methylanilino)phenyl]-5-naphthalen-1-ylphenyl]propan-2-ol
PubChem CID153437165
Molecular FormulaC60H55NO3
Molecular Weight838.10 g/mol
Exact Mass837.42
IUPAC Name2-[4-(2-hydroxypropan-2-yl)-2-[4-(N-[4-[2-(2-hydroxypropan-2-yl)-4-naphthalen-1-ylphenyl]phenyl]-4-methylanilino)phenyl]-5-naphthalen-1-ylphenyl]propan-2-ol
SMILESCc1ccc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3C(C)(C)O)cc2)c2ccc(-c3cc(C(C)(C)O)c(-c4cccc5ccccc45)cc3C(C)(C)O)cc2)cc1
InChIInChI=1S/C60H55NO3/c1-39-22-29-45(30-23-39)61(46-31-24-42(25-32-46)51-35-28-44(36-55(51)58(2,3)62)50-20-12-16-40-14-8-10-18-48(40)50)47-33-26-43(27-34-47)53-37-57(60(6,7)64)54(38-56(53)59(4,5)63)52-21-13-17-41-15-9-11-19-49(41)52/h8-38,62-64H,1-7H3
InChIKeyZICIWZMUNLDYMQ-UHFFFAOYSA-N
XLogP15.12
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.10
LogP ≤ 515.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-hydroxypropan-2-yl)-2-[4-(N-[4-[2-(2-hydroxypropan-2-yl)-4-naphthalen-1-ylphenyl]phenyl]-4-methylanilino)phenyl]-5-naphthalen-1-ylphenyl]propan-2-ol with MolForge

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Related Compounds

2-[5-fluoranthen-3-yl-4-(2-hydroxypropan-2-yl)-2-naphthalen-1-ylphenyl]propan-2-ol
CID 58261454
N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline
CID 155377108
2-(4-methyl-5-naphthalen-1-yl-2-phenylphenyl)propan-2-ol
CID 118360843
4-(5-naphthalen-1-ylanthracen-1-yl)-N,N-diphenylaniline
CID 142716868
4-(3-tert-butylphenyl)-N,N-bis(4-naphthalen-1-ylphenyl)aniline;4-(3-tert-butylphenyl)-N-[4-(3-tert-butylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)aniline;N-[4-(3-tert-butylphenyl)phenyl]-N,4-bis(4-naphthalen-1-ylphenyl)aniline
CID 158190422
4-methyl-N-[4-[2-[4-(4-methyl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]anilino)phenyl]ethyl]phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]aniline
CID 155377469
ethane;N-(4-naphthalen-1-ylphenyl)-N,4-diphenylaniline
CID 143813904
N-[4-(3,5-diphenylphenyl)phenyl]-4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)aniline
CID 130353837
4-naphthalen-1-yl-N-phenyl-N-[4-(4-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 166589751
N-(2,5-dinaphthalen-1-ylphenyl)-N-(4-naphthalen-1-ylphenyl)naphthalen-1-amine
CID 167233788
4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]-N,N-diphenylaniline;N-[4-[4-[4-(4-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159367730
N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropan-2-yl)-2-[4-(N-[4-[2-(2-hydroxypropan-2-yl)-4-naphthalen-1-ylphenyl]phenyl]-4-methylanilino)phenyl]-5-naphthalen-1-ylphenyl]propan-2-ol?
The IUPAC name of 2-[4-(2-hydroxypropan-2-yl)-2-[4-(N-[4-[2-(2-hydroxypropan-2-yl)-4-naphthalen-1-ylphenyl]phenyl]-4-methylanilino)phenyl]-5-naphthalen-1-ylphenyl]propan-2-ol (CID 153437165) is 2-[4-(2-hydroxypropan-2-yl)-2-[4-(N-[4-[2-(2-hydroxypropan-2-yl)-4-naphthalen-1-ylphenyl]phenyl]-4-methylanilino)phenyl]-5-naphthalen-1-ylphenyl]propan-2-ol.
What is the SMILES notation for 2-[4-(2-hydroxypropan-2-yl)-2-[4-(N-[4-[2-(2-hydroxypropan-2-yl)-4-naphthalen-1-ylphenyl]phenyl]-4-methylanilino)phenyl]-5-naphthalen-1-ylphenyl]propan-2-ol?
The canonical SMILES for 2-[4-(2-hydroxypropan-2-yl)-2-[4-(N-[4-[2-(2-hydroxypropan-2-yl)-4-naphthalen-1-ylphenyl]phenyl]-4-methylanilino)phenyl]-5-naphthalen-1-ylphenyl]propan-2-ol is Cc1ccc(N(c2ccc(-c3ccc(-c4cccc5ccccc45)cc3C(C)(C)O)cc2)c2ccc(-c3cc(C(C)(C)O)c(-c4cccc5ccccc45)cc3C(C)(C)O)cc2)cc1.
What is the InChIKey of 2-[4-(2-hydroxypropan-2-yl)-2-[4-(N-[4-[2-(2-hydroxypropan-2-yl)-4-naphthalen-1-ylphenyl]phenyl]-4-methylanilino)phenyl]-5-naphthalen-1-ylphenyl]propan-2-ol?
The InChIKey is ZICIWZMUNLDYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H55NO3/c1-39-22-29-45(30-23-39)61(46-31-24-42(25-32-46)51-35-28-44(36-55(51)58(2,3)62)50-20-12-16-40-14-8-10-18-48(40)50)47-33-26-43(27-34-47)53-37-57(60(6,7)64)54(38-56(53)59(4,5)63)52-21-13-17-41-15-9-11-19-49(41)52/h8-38,62-64H,1-7H3.
What are the key properties of 2-[4-(2-hydroxypropan-2-yl)-2-[4-(N-[4-[2-(2-hydroxypropan-2-yl)-4-naphthalen-1-ylphenyl]phenyl]-4-methylanilino)phenyl]-5-naphthalen-1-ylphenyl]propan-2-ol?
2-[4-(2-hydroxypropan-2-yl)-2-[4-(N-[4-[2-(2-hydroxypropan-2-yl)-4-naphthalen-1-ylphenyl]phenyl]-4-methylanilino)phenyl]-5-naphthalen-1-ylphenyl]propan-2-ol has a molecular weight of 838.10 g/mol, XLogP of 15.12, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropan-2-yl)-2-[4-(N-[4-[2-(2-hydroxypropan-2-yl)-4-naphthalen-1-ylphenyl]phenyl]-4-methylanilino)phenyl]-5-naphthalen-1-ylphenyl]propan-2-ol is sourced from PubChem (CID 153437165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).