N-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

C42H29N — CID 20801917

IUPACN-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESC(=C/c1ccc2cc3ccccc3cc2c1)\c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C42H29N/c1-2-12-35-29-37-27-31(21-24-36(37)28-34(35)11-1)20-19-30-22-25-38(26-23-30)43(41-17-7-13-32-9-3-5-15-39(32)41)42-18-8-14-33-10-4-6-16-40(33)42/h1-29H/b20-19+
InChIKeyLQSRCOJHAJFZON-FMQUCBEESA-N
MW547.70 g/mol
LogP11.94
Rot. Bonds5

About N-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine

N-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (PubChem CID 20801917) has the molecular formula C42H29N and a molecular weight of 547.70 g/mol. Its IUPAC name is N-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.

Molecular Properties

Compound NameN-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
PubChem CID20801917
Molecular FormulaC42H29N
Molecular Weight547.70 g/mol
Exact Mass547.23
IUPAC NameN-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
SMILESC(=C/c1ccc2cc3ccccc3cc2c1)\c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1
InChIInChI=1S/C42H29N/c1-2-12-35-29-37-27-31(21-24-36(37)28-34(35)11-1)20-19-30-22-25-38(26-23-30)43(41-17-7-13-32-9-3-5-15-39(32)41)42-18-8-14-33-10-4-6-16-40(33)42/h1-29H/b20-19+
InChIKeyLQSRCOJHAJFZON-FMQUCBEESA-N
XLogP11.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.70
LogP ≤ 511.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-naphthalen-1-yl-6-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]-N-phenylnaphthalen-2-amine
CID 59270592
N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-ylanilino)naphthalen-2-yl]ethenyl]-N-phenylnaphthalen-2-amine
CID 58870889
N-[4-[(Z)-2-[4-[4-(dinaphthalen-1-ylamino)phenyl]phenyl]ethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 160623452
N-naphthalen-1-yl-N-[4-[4-[(E)-2-[4-[4-[naphthalen-1-yl(naphthalen-2-yl)amino]phenyl]phenyl]ethenyl]phenyl]phenyl]naphthalen-2-amine
CID 58511479
N-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine
CID 58583928
4-[(E)-2-anthracen-2-ylethenyl]-N,N-diphenylaniline
CID 20801910
N-naphthalen-1-yl-N-[4-[2-[4-[4-(N-phenylanilino)phenyl]phenyl]ethenyl]phenyl]naphthalen-1-amine
CID 59575121
N-naphthalen-1-yl-6-[(E)-2-[6-(N-naphthalen-1-yl-4-trimethylsilylanilino)naphthalen-2-yl]ethenyl]-N-(4-trimethylsilylphenyl)naphthalen-2-amine
CID 140926321
2-N,2-N,6-N,6-N-tetranaphthalen-1-ylnaphthalene-2,6-diamine
CID 159424391
N-[4-[12-[4-[N-naphthalen-1-yl-4-[(Z)-2-phenylethenyl]anilino]phenyl]chrysen-6-yl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
CID 163884704
N-[4-[(E)-2-[4-(4-tert-butyl-N-naphthalen-1-ylanilino)phenyl]ethenyl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine
CID 89067707
N-[4-[(E)-2-[10-[(E)-2-[4-(N-naphthalen-1-ylanilino)phenyl]ethenyl]anthracen-9-yl]ethenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438529

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The IUPAC name of N-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine (CID 20801917) is N-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine.
What is the SMILES notation for N-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The canonical SMILES for N-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is C(=C/c1ccc2cc3ccccc3cc2c1)\c1ccc(N(c2cccc3ccccc23)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
The InChIKey is LQSRCOJHAJFZON-FMQUCBEESA-N. The full InChI is InChI=1S/C42H29N/c1-2-12-35-29-37-27-31(21-24-36(37)28-34(35)11-1)20-19-30-22-25-38(26-23-30)43(41-17-7-13-32-9-3-5-15-39(32)41)42-18-8-14-33-10-4-6-16-40(33)42/h1-29H/b20-19+.
What are the key properties of N-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine?
N-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine has a molecular weight of 547.70 g/mol, XLogP of 11.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-anthracen-2-ylethenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine is sourced from PubChem (CID 20801917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).