N-[3-ethenyl-4,4-dimethyl-1-pyridin-2-yl-6-(10-pyridin-4-ylanthracen-9-yl)quinolin-2-yl]methanimine

C38H30N4 — CID 142352699

IUPACN-[3-ethenyl-4,4-dimethyl-1-pyridin-2-yl-6-(10-pyridin-4-ylanthracen-9-yl)quinolin-2-yl]methanimine
SMILESC=CC1=C(N=C)N(c2ccccn2)c2ccc(-c3c4ccccc4c(-c4ccncc4)c4ccccc34)cc2C1(C)C
InChIInChI=1S/C38H30N4/c1-5-31-37(39-4)42(34-16-10-11-21-41-34)33-18-17-26(24-32(33)38(31,2)3)36-29-14-8-6-12-27(29)35(25-19-22-40-23-20-25)28-13-7-9-15-30(28)36/h5-24H,1,4H2,2-3H3
InChIKeyHDYZDNYIPGULJY-UHFFFAOYSA-N
MW542.69 g/mol
LogP9.64
Rot. Bonds5

About N-[3-ethenyl-4,4-dimethyl-1-pyridin-2-yl-6-(10-pyridin-4-ylanthracen-9-yl)quinolin-2-yl]methanimine

N-[3-ethenyl-4,4-dimethyl-1-pyridin-2-yl-6-(10-pyridin-4-ylanthracen-9-yl)quinolin-2-yl]methanimine (PubChem CID 142352699) has the molecular formula C38H30N4 and a molecular weight of 542.69 g/mol. Its IUPAC name is N-[3-ethenyl-4,4-dimethyl-1-pyridin-2-yl-6-(10-pyridin-4-ylanthracen-9-yl)quinolin-2-yl]methanimine.

Molecular Properties

Compound NameN-[3-ethenyl-4,4-dimethyl-1-pyridin-2-yl-6-(10-pyridin-4-ylanthracen-9-yl)quinolin-2-yl]methanimine
PubChem CID142352699
Molecular FormulaC38H30N4
Molecular Weight542.69 g/mol
Exact Mass542.25
IUPAC NameN-[3-ethenyl-4,4-dimethyl-1-pyridin-2-yl-6-(10-pyridin-4-ylanthracen-9-yl)quinolin-2-yl]methanimine
SMILESC=CC1=C(N=C)N(c2ccccn2)c2ccc(-c3c4ccccc4c(-c4ccncc4)c4ccccc34)cc2C1(C)C
InChIInChI=1S/C38H30N4/c1-5-31-37(39-4)42(34-16-10-11-21-41-34)33-18-17-26(24-32(33)38(31,2)3)36-29-14-8-6-12-27(29)35(25-19-22-40-23-20-25)28-13-7-9-15-30(28)36/h5-24H,1,4H2,2-3H3
InChIKeyHDYZDNYIPGULJY-UHFFFAOYSA-N
XLogP9.64
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.69
LogP ≤ 59.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[3-ethenyl-4,4-dimethyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1-pyridin-2-ylquinolin-2-yl]methanimine
CID 142352589
N-[3-ethenyl-4,4-dimethyl-6-(4-pyren-1-ylnaphthalen-1-yl)-1-pyridin-2-ylquinolin-2-yl]methanimine
CID 142352670
N-[2-[3-[4-[3-ethenyl-4,4-dimethyl-2-(methylideneamino)-1-phenylquinolin-6-yl]phenyl]phenyl]-7-[(Z)-prop-1-enyl]quinolin-8-yl]methanimine
CID 142352651
2-pyridin-4-yl-4-[10-(4-pyridin-2-ylphenyl)anthracen-9-yl]pyridine
CID 153170938
4-[10-(9,9-dimethylfluoren-2-yl)-3-naphthalen-1-ylanthracen-9-yl]pyridine
CID 59194825
9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene
CID 123359012
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-pyridin-2-yl-6-[4-(10-pyridin-2-ylanthracen-9-yl)phenyl]pyrido[2,3-b]indole
CID 118403871
3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinolin-5-ol
CID 171580330
4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyridine;4-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]pyrimidine;2-[3-(9,9-dimethylfluoren-2-yl)-10-(9,9-dimethylfluoren-3-yl)anthracen-9-yl]-1,3,5-triazine
CID 160518735
3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol
CID 171579701
2-[10-[4-(4,6-dipyridin-4-yl-2-pyridinyl)phenyl]anthracen-9-yl]-9,9-dimethylindeno[2,1-d]pyrimidine
CID 129264991

Frequently Asked Questions

What is the IUPAC name of N-[3-ethenyl-4,4-dimethyl-1-pyridin-2-yl-6-(10-pyridin-4-ylanthracen-9-yl)quinolin-2-yl]methanimine?
The IUPAC name of N-[3-ethenyl-4,4-dimethyl-1-pyridin-2-yl-6-(10-pyridin-4-ylanthracen-9-yl)quinolin-2-yl]methanimine (CID 142352699) is N-[3-ethenyl-4,4-dimethyl-1-pyridin-2-yl-6-(10-pyridin-4-ylanthracen-9-yl)quinolin-2-yl]methanimine.
What is the SMILES notation for N-[3-ethenyl-4,4-dimethyl-1-pyridin-2-yl-6-(10-pyridin-4-ylanthracen-9-yl)quinolin-2-yl]methanimine?
The canonical SMILES for N-[3-ethenyl-4,4-dimethyl-1-pyridin-2-yl-6-(10-pyridin-4-ylanthracen-9-yl)quinolin-2-yl]methanimine is C=CC1=C(N=C)N(c2ccccn2)c2ccc(-c3c4ccccc4c(-c4ccncc4)c4ccccc34)cc2C1(C)C.
What is the InChIKey of N-[3-ethenyl-4,4-dimethyl-1-pyridin-2-yl-6-(10-pyridin-4-ylanthracen-9-yl)quinolin-2-yl]methanimine?
The InChIKey is HDYZDNYIPGULJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4/c1-5-31-37(39-4)42(34-16-10-11-21-41-34)33-18-17-26(24-32(33)38(31,2)3)36-29-14-8-6-12-27(29)35(25-19-22-40-23-20-25)28-13-7-9-15-30(28)36/h5-24H,1,4H2,2-3H3.
What are the key properties of N-[3-ethenyl-4,4-dimethyl-1-pyridin-2-yl-6-(10-pyridin-4-ylanthracen-9-yl)quinolin-2-yl]methanimine?
N-[3-ethenyl-4,4-dimethyl-1-pyridin-2-yl-6-(10-pyridin-4-ylanthracen-9-yl)quinolin-2-yl]methanimine has a molecular weight of 542.69 g/mol, XLogP of 9.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethenyl-4,4-dimethyl-1-pyridin-2-yl-6-(10-pyridin-4-ylanthracen-9-yl)quinolin-2-yl]methanimine is sourced from PubChem (CID 142352699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).