N-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline

C62H47N — CID 134194343

IUPACN-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline
SMILESC/C=C(/c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3ccccc3-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)c2)cc1)c1ccccc1C
InChIInChI=1S/C62H47N/c1-3-55(56-24-12-10-17-44(56)2)49-33-37-52(38-34-49)63(53-39-35-50(36-40-53)58-28-16-23-48-22-11-13-25-57(48)58)54-41-42-61(60-27-15-14-26-59(60)47-20-8-5-9-21-47)62(43-54)51-31-29-46(30-32-51)45-18-6-4-7-19-45/h3-43H,1-2H3/b55-3-
InChIKeyRDMLPRGJNYDUPS-OOZVTLAGSA-N
MW806.07 g/mol
LogP17.40
Rot. Bonds10

About N-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline

N-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline (PubChem CID 134194343) has the molecular formula C62H47N and a molecular weight of 806.07 g/mol. Its IUPAC name is N-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline
PubChem CID134194343
Molecular FormulaC62H47N
Molecular Weight806.07 g/mol
Exact Mass805.37
IUPAC NameN-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline
SMILESC/C=C(/c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3ccccc3-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)c2)cc1)c1ccccc1C
InChIInChI=1S/C62H47N/c1-3-55(56-24-12-10-17-44(56)2)49-33-37-52(38-34-49)63(53-39-35-50(36-40-53)58-28-16-23-48-22-11-13-25-57(48)58)54-41-42-61(60-27-15-14-26-59(60)47-20-8-5-9-21-47)62(43-54)51-31-29-46(30-32-51)45-18-6-4-7-19-45/h3-43H,1-2H3/b55-3-
InChIKeyRDMLPRGJNYDUPS-OOZVTLAGSA-N
XLogP17.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.07
LogP ≤ 517.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-naphthalen-1-ylphenyl)-3-phenyl-N,4-bis(4-phenylphenyl)aniline
CID 121477367
N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline;N-(4-naphthalen-1-ylphenyl)-4-(3-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 158592515
N,N-bis(4-methylphenyl)-4-naphthalen-1-yl-3-phenylaniline
CID 155377108
N,N-bis(4-naphthalen-1-ylphenyl)-3,4-diphenylaniline;N,N-bis(4-naphthalen-1-ylphenyl)-3-phenyl-4-(4-phenylphenyl)aniline;N-(4-naphthalen-2-ylphenyl)-4-(2-phenylphenyl)-N,3-bis(4-phenylphenyl)aniline
CID 157345301
4-[4-(2,5-diphenylphenyl)phenyl]-N,N-bis(4-naphthalen-1-ylphenyl)aniline
CID 167297413
N-[4-(3,4-diphenylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 164831821
3-naphthalen-1-yl-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-[2-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]aniline
CID 172501995
4-naphthalen-1-yl-N,N-bis(4-naphthalen-1-yl-3-phenylphenyl)-3-phenylaniline
CID 122470453
4-[4-[4-[6-[4-(4-naphthalen-2-yl-N-[4-(4-naphthalen-1-ylphenyl)-3-phenylphenyl]anilino)phenyl]naphthalen-1-yl]phenyl]phenyl]-N,N-bis(4-naphthalen-2-ylphenyl)-3-phenylaniline
CID 146496903
N-(4-benzo[g]phenanthren-4-ylphenyl)-3,4-diphenyl-N-(4-phenylphenyl)aniline
CID 167183300
N-(4-naphthalen-1-ylphenyl)-3,4-di(phenanthren-9-yl)-N-(4-phenylphenyl)aniline
CID 170054592
bis(3,5-diphenyl-N,N-bis(4-phenylphenyl)-4-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline);N,3-diphenyl-N-(4-phenylphenyl)-4-[4-[3-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;N-(4-naphthalen-1-ylphenyl)-3-phenyl-N-(4-phenylphenyl)-4-[4-(N-(4-phenylphenyl)anilino)phenyl]aniline;3-phenyl-N,N-bis(4-phenylphenyl)-4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]aniline
CID 158742458

Frequently Asked Questions

What is the IUPAC name of N-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline (CID 134194343) is N-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline is C/C=C(/c1ccc(N(c2ccc(-c3cccc4ccccc34)cc2)c2ccc(-c3ccccc3-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)c2)cc1)c1ccccc1C.
What is the InChIKey of N-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline?
The InChIKey is RDMLPRGJNYDUPS-OOZVTLAGSA-N. The full InChI is InChI=1S/C62H47N/c1-3-55(56-24-12-10-17-44(56)2)49-33-37-52(38-34-49)63(53-39-35-50(36-40-53)58-28-16-23-48-22-11-13-25-57(48)58)54-41-42-61(60-27-15-14-26-59(60)47-20-8-5-9-21-47)62(43-54)51-31-29-46(30-32-51)45-18-6-4-7-19-45/h3-43H,1-2H3/b55-3-.
What are the key properties of N-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline?
N-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline has a molecular weight of 806.07 g/mol, XLogP of 17.40, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(Z)-1-(2-methylphenyl)prop-1-enyl]phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(2-phenylphenyl)-3-(4-phenylphenyl)aniline is sourced from PubChem (CID 134194343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).