N-methyl-N-naphthalen-2-ylperylen-3-amine

C31H21N — CID 89072602

IUPACN-methyl-N-naphthalen-2-ylperylen-3-amine
SMILESCN(c1ccc2ccccc2c1)c1ccc2c3cccc4cccc(c5cccc1c52)c43
InChIInChI=1S/C31H21N/c1-32(23-16-15-20-7-2-3-8-22(20)19-23)29-18-17-27-25-12-5-10-21-9-4-11-24(30(21)25)26-13-6-14-28(29)31(26)27/h2-19H,1H3
InChIKeyCRDHGADNPSHPBV-UHFFFAOYSA-N
MW407.52 g/mol
LogP8.66
Rot. Bonds2

About N-methyl-N-naphthalen-2-ylperylen-3-amine

N-methyl-N-naphthalen-2-ylperylen-3-amine (PubChem CID 89072602) has the molecular formula C31H21N and a molecular weight of 407.52 g/mol. Its IUPAC name is N-methyl-N-naphthalen-2-ylperylen-3-amine.

Molecular Properties

Compound NameN-methyl-N-naphthalen-2-ylperylen-3-amine
PubChem CID89072602
Molecular FormulaC31H21N
Molecular Weight407.52 g/mol
Exact Mass407.17
IUPAC NameN-methyl-N-naphthalen-2-ylperylen-3-amine
SMILESCN(c1ccc2ccccc2c1)c1ccc2c3cccc4cccc(c5cccc1c52)c43
InChIInChI=1S/C31H21N/c1-32(23-16-15-20-7-2-3-8-22(20)19-23)29-18-17-27-25-12-5-10-21-9-4-11-24(30(21)25)26-13-6-14-28(29)31(26)27/h2-19H,1H3
InChIKeyCRDHGADNPSHPBV-UHFFFAOYSA-N
XLogP8.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-N-anthracen-2-yl-1-N-methyl-4-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-perylen-3-ylbenzene-1,4-diamine;1-N-methyl-4-N,4-N-bis(4-methylphenyl)-1-N-phenanthren-9-ylbenzene-1,4-diamine
CID 158637300
N,1-dimethyl-N-naphthalen-2-ylnaphthalen-2-amine
CID 143268733
1-N-anthracen-2-yl-1-N-methyl-4-N-naphthalen-1-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-perylen-3-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N-naphthalen-1-yl-1-N-phenanthren-9-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 157084085
1-N,1-N,6-N,6-N-tetranaphthalen-2-ylpyrene-1,6-diamine
CID 59027571
N,N-diphenyloctacyclo[19.7.1.17,11.02,20.04,18.06,16.025,29.015,30]triaconta-1(28),2(20),3,5,7(30),8,10,12,14,16,18,21,23,25(29),26-pentadecaen-10-amine
CID 23534519
1-N-methyl-1-N-naphthalen-1-yl-4-N-naphthalen-2-yl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59431801
1-N-methyl-4-N,4-N-diphenyl-1-N-(3-phenylphenyl)benzene-1,4-diamine;1-N-methyl-4-N,4-N-diphenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine;1-N-methyl-1-N-naphthalen-1-yl-4-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-1-N-naphthalen-2-yl-4-N,4-N-diphenylbenzene-1,4-diamine
CID 159975441
N-methyl-N-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]naphthalen-1-amine
CID 58583928
1-N-methyl-4-N-(4-methylphenyl)-1-N,4-N-diphenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-1-N-naphthalen-1-yl-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-1-N-naphthalen-2-yl-4-N-phenylbenzene-1,4-diamine;1-N-methyl-4-N-(4-methylphenyl)-4-N-phenyl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 162038104
bis(N-methyl-N,4-diphenylaniline);N-methyl-N-phenylaniline;N-methyl-N-phenylnaphthalen-1-amine;N-methyl-N-phenylnaphthalen-2-amine;N-methyl-N-phenylphenanthren-9-amine;N-methyl-N-(4-phenylphenyl)naphthalen-1-amine;N-methyl-N-(4-phenylphenyl)naphthalen-2-amine;N-methyl-N-(4-phenylphenyl)phenanthren-9-amine;N-methyl-4-phenyl-N-(4-phenylphenyl)aniline
CID 159782729
undecacyclo[23.13.1.126,30.02,23.03,12.06,11.010,15.013,22.014,19.035,39.034,40]tetraconta-1(38),2,4,6(11),7,9,12,14(19),15,17,20,22,24,26,28,30(40),31,33,35(39),36-icosaene
CID 12771537
1-N,1-N,6-N,6-N-tetranaphthalen-2-yl-3-propan-2-ylpyrene-1,6-diamine
CID 176881153

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-naphthalen-2-ylperylen-3-amine?
The IUPAC name of N-methyl-N-naphthalen-2-ylperylen-3-amine (CID 89072602) is N-methyl-N-naphthalen-2-ylperylen-3-amine.
What is the SMILES notation for N-methyl-N-naphthalen-2-ylperylen-3-amine?
The canonical SMILES for N-methyl-N-naphthalen-2-ylperylen-3-amine is CN(c1ccc2ccccc2c1)c1ccc2c3cccc4cccc(c5cccc1c52)c43.
What is the InChIKey of N-methyl-N-naphthalen-2-ylperylen-3-amine?
The InChIKey is CRDHGADNPSHPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H21N/c1-32(23-16-15-20-7-2-3-8-22(20)19-23)29-18-17-27-25-12-5-10-21-9-4-11-24(30(21)25)26-13-6-14-28(29)31(26)27/h2-19H,1H3.
What are the key properties of N-methyl-N-naphthalen-2-ylperylen-3-amine?
N-methyl-N-naphthalen-2-ylperylen-3-amine has a molecular weight of 407.52 g/mol, XLogP of 8.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-naphthalen-2-ylperylen-3-amine is sourced from PubChem (CID 89072602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).