N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

C47H36N2 — CID 89074801

IUPACN-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESCc1ccccc1N(c1ccccc1)c1ccc(/C=C/c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C47H36N2/c1-35-11-5-10-18-47(35)49(42-16-3-2-4-17-42)44-29-23-37(24-30-44)20-19-36-21-27-43(28-22-36)48(45-31-25-38-12-6-8-14-40(38)33-45)46-32-26-39-13-7-9-15-41(39)34-46/h2-34H,1H3/b20-19+
InChIKeyDHFMFAMXMVPSKN-FMQUCBEESA-N
MW628.82 g/mol
LogP13.41
Rot. Bonds8

About N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine

N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (PubChem CID 89074801) has the molecular formula C47H36N2 and a molecular weight of 628.82 g/mol. Its IUPAC name is N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.

Molecular Properties

Compound NameN-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
PubChem CID89074801
Molecular FormulaC47H36N2
Molecular Weight628.82 g/mol
Exact Mass628.29
IUPAC NameN-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
SMILESCc1ccccc1N(c1ccccc1)c1ccc(/C=C/c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1
InChIInChI=1S/C47H36N2/c1-35-11-5-10-18-47(35)49(42-16-3-2-4-17-42)44-29-23-37(24-30-44)20-19-36-21-27-43(28-22-36)48(45-31-25-38-12-6-8-14-40(38)33-45)46-32-26-39-13-7-9-15-41(39)34-46/h2-34H,1H3/b20-19+
InChIKeyDHFMFAMXMVPSKN-FMQUCBEESA-N
XLogP13.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.82
LogP ≤ 513.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91294217
2-methyl-N-[4-[(E)-2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylaniline
CID 89074819
2-methyl-4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 91550926
N-naphthalen-2-yl-N-[4-[2-[4-(N-(4-phenylphenyl)anilino)phenyl]ethenyl]phenyl]naphthalen-2-amine
CID 91472292
N-[4-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 89067663
N-[4-[2-[4-(2-methyl-N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-phenylphenanthren-9-amine
CID 91078123
N-(4-tert-butylphenyl)-2-methyl-N-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]aniline
CID 91106273
N-[4-[(E)-2-[4-(N-(3,5-dimethylphenyl)-3-methylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 89067843
N-naphthalen-2-yl-N-[4-[(E)-2-[4-(N-naphthalen-2-ylanilino)phenyl]ethenyl]phenyl]phenanthren-9-amine
CID 89067533
N-[4-[2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91122329
N-[4-[2-[4-(N-(3-methylphenyl)-4-phenylanilino)phenyl]ethenyl]phenyl]-N-phenylnaphthalen-2-amine
CID 91011081
N-[4-[2-[6-[2-[4-(N-(3,4-dimethylphenyl)anilino)phenyl]ethenyl]naphthalen-2-yl]ethenyl]phenyl]-3,4-dimethyl-N-phenylaniline
CID 59933553

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The IUPAC name of N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine (CID 89074801) is N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine.
What is the SMILES notation for N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The canonical SMILES for N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is Cc1ccccc1N(c1ccccc1)c1ccc(/C=C/c2ccc(N(c3ccc4ccccc4c3)c3ccc4ccccc4c3)cc2)cc1.
What is the InChIKey of N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
The InChIKey is DHFMFAMXMVPSKN-FMQUCBEESA-N. The full InChI is InChI=1S/C47H36N2/c1-35-11-5-10-18-47(35)49(42-16-3-2-4-17-42)44-29-23-37(24-30-44)20-19-36-21-27-43(28-22-36)48(45-31-25-38-12-6-8-14-40(38)33-45)46-32-26-39-13-7-9-15-41(39)34-46/h2-34H,1H3/b20-19+.
What are the key properties of N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine?
N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine has a molecular weight of 628.82 g/mol, XLogP of 13.41, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-[4-(N-(2-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine is sourced from PubChem (CID 89074801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).