N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-9-amine

C86H64N4 — CID 158426731

IUPACN-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-9-amine
SMILESCN(c1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)cc1)c1c2ccccc2cc2ccccc12.CN(c1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)cc1)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/2C43H32N2/c1-44(43-41-17-9-7-13-35(41)29-36-14-8-10-18-42(36)43)37-24-19-32(20-25-37)33-21-26-39(27-22-33)45(38-15-3-2-4-16-38)40-28-23-31-11-5-6-12-34(31)30-40;1-44(42-25-20-37-27-34-10-7-8-11-35(34)28-38(37)30-42)39-21-15-32(16-22-39)33-17-23-41(24-18-33)45(40-13-3-2-4-14-40)43-26-19-31-9-5-6-12-36(31)29-43/h2*2-30H,1H3
InChIKeyHBDHLAXCAULWJK-UHFFFAOYSA-N
MW1153.49 g/mol
LogP24.10
Rot. Bonds12

About N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-9-amine

N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-9-amine (PubChem CID 158426731) has the molecular formula C86H64N4 and a molecular weight of 1153.49 g/mol. Its IUPAC name is N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-9-amine.

Molecular Properties

Compound NameN-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-9-amine
PubChem CID158426731
Molecular FormulaC86H64N4
Molecular Weight1153.49 g/mol
Exact Mass1152.51
IUPAC NameN-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-9-amine
SMILESCN(c1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)cc1)c1c2ccccc2cc2ccccc12.CN(c1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)cc1)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/2C43H32N2/c1-44(43-41-17-9-7-13-35(41)29-36-14-8-10-18-42(36)43)37-24-19-32(20-25-37)33-21-26-39(27-22-33)45(38-15-3-2-4-16-38)40-28-23-31-11-5-6-12-34(31)30-40;1-44(42-25-20-37-27-34-10-7-8-11-35(34)28-38(37)30-42)39-21-15-32(16-22-39)33-17-23-41(24-18-33)45(40-13-3-2-4-14-40)43-26-19-31-9-5-6-12-36(31)29-43/h2*2-30H,1H3
InChIKeyHBDHLAXCAULWJK-UHFFFAOYSA-N
XLogP24.10
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001153.49
LogP ≤ 524.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]anthracen-9-amine
CID 158787356
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylanthracen-9-amine
CID 59431812
1-N-anthracen-2-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-phenyl-4-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-phenyl-1-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 159221437
1-N-anthracen-2-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-anthracen-9-yl-1-N-methyl-4-N-(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine
CID 158312498
N-methyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]anthracen-9-amine;N-methyl-3-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;N-methyl-4-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 158086380
N-methyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]anthracen-2-amine
CID 59431583
N-[4-[4-(dinaphthalen-2-ylamino)phenyl]phenyl]-N-methylnaphthalen-2-amine;N-[4-[4-(N-methyl-4-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 161479413
N-methyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-2-amine;N-methyl-4-phenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 158523438
1-N-anthracen-9-yl-1-N-methyl-4-N,4-N-bis(3-phenylphenyl)benzene-1,4-diamine
CID 59431779
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 59431911
N-[4-[4-(N-methyl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-2-amine
CID 59431625
1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-dinaphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N,4-N,4-N-trinaphthalen-2-ylbenzene-1,4-diamine
CID 159683309

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-9-amine?
The IUPAC name of N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-9-amine (CID 158426731) is N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-9-amine.
What is the SMILES notation for N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-9-amine?
The canonical SMILES for N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-9-amine is CN(c1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)cc1)c1c2ccccc2cc2ccccc12.CN(c1ccc(-c2ccc(N(c3ccccc3)c3ccc4ccccc4c3)cc2)cc1)c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-9-amine?
The InChIKey is HBDHLAXCAULWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C43H32N2/c1-44(43-41-17-9-7-13-35(41)29-36-14-8-10-18-42(36)43)37-24-19-32(20-25-37)33-21-26-39(27-22-33)45(38-15-3-2-4-16-38)40-28-23-31-11-5-6-12-34(31)30-40;1-44(42-25-20-37-27-34-10-7-8-11-35(34)28-38(37)30-42)39-21-15-32(16-22-39)33-17-23-41(24-18-33)45(40-13-3-2-4-14-40)43-26-19-31-9-5-6-12-36(31)29-43/h2*2-30H,1H3.
What are the key properties of N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-9-amine?
N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-9-amine has a molecular weight of 1153.49 g/mol, XLogP of 24.10, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-2-amine;N-methyl-N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]anthracen-9-amine is sourced from PubChem (CID 158426731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).