N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline

C40H32N2 — CID 148708974

IUPACN-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(N(C)c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C40H32N2/c1-41(31-13-5-3-6-14-31)33-25-21-29(22-26-33)39-35-17-9-11-19-37(35)40(38-20-12-10-18-36(38)39)30-23-27-34(28-24-30)42(2)32-15-7-4-8-16-32/h3-28H,1-2H3
InChIKeyNWVRBKFBERHOLY-UHFFFAOYSA-N
MW540.71 g/mol
LogP10.86
Rot. Bonds6

About N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline

N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline (PubChem CID 148708974) has the molecular formula C40H32N2 and a molecular weight of 540.71 g/mol. Its IUPAC name is N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline.

Molecular Properties

Compound NameN-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline
PubChem CID148708974
Molecular FormulaC40H32N2
Molecular Weight540.71 g/mol
Exact Mass540.26
IUPAC NameN-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline
SMILESCN(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(N(C)c4ccccc4)cc3)c3ccccc23)cc1
InChIInChI=1S/C40H32N2/c1-41(31-13-5-3-6-14-31)33-25-21-29(22-26-33)39-35-17-9-11-19-37(35)40(38-20-12-10-18-36(38)39)30-23-27-34(28-24-30)42(2)32-15-7-4-8-16-32/h3-28H,1-2H3
InChIKeyNWVRBKFBERHOLY-UHFFFAOYSA-N
XLogP10.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.71
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-phenylaniline;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 157333767
1-N-phenyl-1-N-[4-(10-phenylanthracen-9-yl)phenyl]-4-N,4-N-bis(4-phenylphenyl)benzene-1,4-diamine
CID 59221806
N-cyclohexa-2,4-dien-1-yl-N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]aniline
CID 163485486
4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(10-phenylanthracen-9-yl)phenyl]benzene-1,4-diamine
CID 59221804
benzene;N,4-dimethyl-N-phenylaniline
CID 71196716
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
4-N-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 59221775
4-[4-(N-methylanilino)phenyl]aniline
CID 21015508
ethene;N-methyl-N-phenylaniline
CID 144541479
N-methyl-N-[4-(4-methylphenyl)phenyl]-4-phenylaniline
CID 143685330
N-methyl-N-phenylaniline;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[4-[4-(4-phenylphenyl)phenyl]phenyl]benzene
CID 157193805
N,4-dimethyl-N-phenylaniline;ethane;toluene
CID 143203824

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline?
The IUPAC name of N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline (CID 148708974) is N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline.
What is the SMILES notation for N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline?
The canonical SMILES for N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline is CN(c1ccccc1)c1ccc(-c2c3ccccc3c(-c3ccc(N(C)c4ccccc4)cc3)c3ccccc23)cc1.
What is the InChIKey of N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline?
The InChIKey is NWVRBKFBERHOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H32N2/c1-41(31-13-5-3-6-14-31)33-25-21-29(22-26-33)39-35-17-9-11-19-37(35)40(38-20-12-10-18-36(38)39)30-23-27-34(28-24-30)42(2)32-15-7-4-8-16-32/h3-28H,1-2H3.
What are the key properties of N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline?
N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline has a molecular weight of 540.71 g/mol, XLogP of 10.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[10-[4-(N-methylanilino)phenyl]anthracen-9-yl]-N-phenylaniline is sourced from PubChem (CID 148708974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).