N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine

C37H27N — CID 54213443

IUPACN-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine
SMILESCc1ccc(N(c2ccc(C=Cc3ccccc3)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C37H27N/c1-26-10-20-32(21-11-26)38(33-22-14-28(15-23-33)13-12-27-6-3-2-4-7-27)35-25-19-31-17-16-29-8-5-9-30-18-24-34(35)37(31)36(29)30/h2-25H,1H3
InChIKeyPXNGQXDCHZJGNP-UHFFFAOYSA-N
MW485.63 g/mol
LogP10.53
Rot. Bonds5

About N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine

N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine (PubChem CID 54213443) has the molecular formula C37H27N and a molecular weight of 485.63 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine
PubChem CID54213443
Molecular FormulaC37H27N
Molecular Weight485.63 g/mol
Exact Mass485.21
IUPAC NameN-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine
SMILESCc1ccc(N(c2ccc(C=Cc3ccccc3)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1
InChIInChI=1S/C37H27N/c1-26-10-20-32(21-11-26)38(33-22-14-28(15-23-33)13-12-27-6-3-2-4-7-27)35-25-19-31-17-16-29-8-5-9-30-18-24-34(35)37(31)36(29)30/h2-25H,1H3
InChIKeyPXNGQXDCHZJGNP-UHFFFAOYSA-N
XLogP10.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.63
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-N-[4-(2-naphthalen-1-ylethenyl)phenyl]pyren-1-amine
CID 58817047
1-N,4-N-bis[4-[2-(4-methylphenyl)ethenyl]phenyl]-1-N,4-N-bis[4-(2-phenylethenyl)phenyl]naphthalene-1,4-diamine
CID 72522022
3-N,3-N,10-N-tris(4-methylphenyl)-10-N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]perylene-3,10-diamine
CID 20789612
N,N-diphenyl-4-[2-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]ethenyl]aniline;4-methyl-N-[4-[2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline;4-methyl-N-[4-[2-[4-[2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline;N-[4-[4-[N-naphthalen-1-yl-4-(2-phenylethenyl)anilino]phenyl]phenyl]-N-[4-(2-phenylethenyl)phenyl]naphthalen-1-amine
CID 161488206
N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine
CID 59165153
2-N-anthracen-9-yl-9,9-dimethyl-7-N,7-N-bis(4-methylphenyl)-2-N-phenylfluorene-2,7-diamine;9,9-dimethyl-7-N,7-N-bis(4-methylphenyl)-2-N-naphthalen-2-yl-2-N-phenylfluorene-2,7-diamine;9,9-dimethyl-7-N,7-N-bis(4-methylphenyl)-2-N-phenyl-2-N-pyren-1-ylfluorene-2,7-diamine;2-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-N,7-N-bis(4-methylphenyl)-2-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N,7-N-tris(4-methylphenyl)-2-N-[4-[(E)-2-phenylethenyl]phenyl]fluorene-2,7-diamine
CID 157169540
N-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]-N-phenyl-1,2-dihydroacenaphthylen-5-amine
CID 19688920
1-N-(3-methylphenyl)-1-N,6-N,6-N-triphenylpyrene-1,6-diamine
CID 143254467
1-N,1-N,6-N,6-N-tetraphenylpyrene-1,6-diamine
CID 23019723
N-(4-methylphenyl)-N-[4-[4-[2-[4-(N-phenylanilino)phenyl]ethenyl]phenyl]phenyl]fluoranthen-3-amine
CID 90896917
N-[4-[(E)-2-[4-(cyclohexylidenemethyl)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)perylen-3-amine
CID 20733774
1-N,6-N-bis(3,5-dimethylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine
CID 59260496

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine?
The IUPAC name of N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine (CID 54213443) is N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine.
What is the SMILES notation for N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine?
The canonical SMILES for N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine is Cc1ccc(N(c2ccc(C=Cc3ccccc3)cc2)c2ccc3ccc4cccc5ccc2c3c45)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine?
The InChIKey is PXNGQXDCHZJGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27N/c1-26-10-20-32(21-11-26)38(33-22-14-28(15-23-33)13-12-27-6-3-2-4-7-27)35-25-19-31-17-16-29-8-5-9-30-18-24-34(35)37(31)36(29)30/h2-25H,1H3.
What are the key properties of N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine?
N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine has a molecular weight of 485.63 g/mol, XLogP of 10.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[4-(2-phenylethenyl)phenyl]pyren-1-amine is sourced from PubChem (CID 54213443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).