N-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine

C31H23N — CID 150848719

IUPACN-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine
SMILESCc1ccc(Nc2cccc3cc4ccccc4c(-c4cccc5ccccc45)c23)cc1
InChIInChI=1S/C31H23N/c1-21-16-18-25(19-17-21)32-29-15-7-11-24-20-23-9-3-5-13-27(23)31(30(24)29)28-14-6-10-22-8-2-4-12-26(22)28/h2-20,32H,1H3
InChIKeyKPOITCQALXWOQE-UHFFFAOYSA-N
MW409.53 g/mol
LogP8.87
Rot. Bonds3

About N-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine

N-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine (PubChem CID 150848719) has the molecular formula C31H23N and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine
PubChem CID150848719
Molecular FormulaC31H23N
Molecular Weight409.53 g/mol
Exact Mass409.18
IUPAC NameN-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine
SMILESCc1ccc(Nc2cccc3cc4ccccc4c(-c4cccc5ccccc45)c23)cc1
InChIInChI=1S/C31H23N/c1-21-16-18-25(19-17-21)32-29-15-7-11-24-20-23-9-3-5-13-27(23)31(30(24)29)28-14-6-10-22-8-2-4-12-26(22)28/h2-20,32H,1H3
InChIKeyKPOITCQALXWOQE-UHFFFAOYSA-N
XLogP8.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 58.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methylphenyl)phenanthren-4-amine
CID 122607190
N-(4-naphthalen-1-ylphenyl)phenanthren-9-amine
CID 134359527
N-(4-methylphenyl)-6-phenylnaphtho[2,1-b][1]benzofuran-8-amine
CID 126561028
3-naphthalen-1-yl-N-(4-phenanthren-9-ylphenyl)-2-phenylaniline
CID 175774490
2-[2-(4-naphthalen-1-ylanilino)phenyl]-N-(4-phenylphenyl)aniline
CID 139322198
N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59029878
2,6-bis(4-methylphenyl)-9,10-dinaphthalen-1-ylanthracene
CID 59766352
N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 58672315
1,10-dinaphthalen-1-ylanthracene
CID 58645117
2-naphthalen-2-yl-N-[4-[4-(2-naphthalen-1-ylanilino)phenyl]phenyl]aniline
CID 69101182
2,3-dimethyl-1-naphthalen-1-ylnaphthalene
CID 54572329
N-naphthalen-1-ylphenanthren-2-amine
CID 139983977

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine?
The IUPAC name of N-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine (CID 150848719) is N-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine.
What is the SMILES notation for N-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine?
The canonical SMILES for N-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine is Cc1ccc(Nc2cccc3cc4ccccc4c(-c4cccc5ccccc45)c23)cc1.
What is the InChIKey of N-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine?
The InChIKey is KPOITCQALXWOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N/c1-21-16-18-25(19-17-21)32-29-15-7-11-24-20-23-9-3-5-13-27(23)31(30(24)29)28-14-6-10-22-8-2-4-12-26(22)28/h2-20,32H,1H3.
What are the key properties of N-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine?
N-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine has a molecular weight of 409.53 g/mol, XLogP of 8.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-9-naphthalen-1-ylanthracen-1-amine is sourced from PubChem (CID 150848719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).