N-[3-ethenyl-4,4-dimethyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1-pyridin-2-ylquinolin-2-yl]methanimine

C45H35N3 — CID 142352589

IUPACN-[3-ethenyl-4,4-dimethyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1-pyridin-2-ylquinolin-2-yl]methanimine
SMILESC=CC1=C(N=C)N(c2ccccn2)c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)cc2C1(C)C
InChIInChI=1S/C45H35N3/c1-5-38-44(46-4)48(41-24-13-14-27-47-41)40-26-25-32(29-39(40)45(38,2)3)31-18-15-19-33(28-31)43-36-22-11-9-20-34(36)42(30-16-7-6-8-17-30)35-21-10-12-23-37(35)43/h5-29H,1,4H2,2-3H3
InChIKeyQVJKRWGHEDDRBM-UHFFFAOYSA-N
MW617.80 g/mol
LogP11.92
Rot. Bonds6

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

N-[3-ethenyl-4,4-dimethyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1-pyridin-2-ylquinolin-2-yl]methanimine (PubChem CID 142352589) has the molecular formula C45H35N3 and a molecular weight of 617.80 g/mol. Its IUPAC name is N-[3-ethenyl-4,4-dimethyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1-pyridin-2-ylquinolin-2-yl]methanimine.

Molecular Properties

Compound NameN-[3-ethenyl-4,4-dimethyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1-pyridin-2-ylquinolin-2-yl]methanimine
PubChem CID142352589
Molecular FormulaC45H35N3
Molecular Weight617.80 g/mol
Exact Mass617.28
IUPAC NameN-[3-ethenyl-4,4-dimethyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1-pyridin-2-ylquinolin-2-yl]methanimine
SMILESC=CC1=C(N=C)N(c2ccccn2)c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)cc2C1(C)C
InChIInChI=1S/C45H35N3/c1-5-38-44(46-4)48(41-24-13-14-27-47-41)40-26-25-32(29-39(40)45(38,2)3)31-18-15-19-33(28-31)43-36-22-11-9-20-34(36)42(30-16-7-6-8-17-30)35-21-10-12-23-37(35)43/h5-29H,1,4H2,2-3H3
InChIKeyQVJKRWGHEDDRBM-UHFFFAOYSA-N
XLogP11.92
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.80
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-1-pyridin-2-yl-6-(10-pyridin-4-ylanthracen-9-yl)quinolin-2-yl]methanimine
CID 142352699
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
9-[9,9-dimethyl-7-[10-[10-(3-phenylphenyl)anthracen-9-yl]anthracen-9-yl]fluoren-2-yl]-10-(3-phenylphenyl)anthracene
CID 20822310
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-10-phenylanthracene
CID 20822329
9-(9,9-dimethylfluoren-2-yl)-10-(3-phenylphenyl)anthracene
CID 58782801
9-(4-ethenylphenyl)-10-(3-phenylphenyl)anthracene
CID 23574112
3,3,24,24-tetramethyl-6,21-bis[4-(10-phenylanthracen-9-yl)phenyl]hexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18(23),19,21-undecaene
CID 59181616
9-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-10-[10-(3-phenylphenyl)anthracen-9-yl]anthracene
CID 20822243
9-(1-ethenyl-2,3,3-trimethylinden-5-yl)-10-phenylanthracene
CID 123359012
7,7,12,12-tetramethyl-9-[3-(10-phenylanthracen-9-yl)phenyl]indeno[1,2-c]fluorene
CID 158411932
9-(3-phenylphenyl)-10-[4-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557543
10-[6-(9,9-dimethylacridin-10-yl)-9,10-bis[3-(4-phenylphenyl)phenyl]anthracen-2-yl]-9,9-dimethylacridine
CID 59219909

Frequently Asked Questions

What is the IUPAC name of N-[3-ethenyl-4,4-dimethyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1-pyridin-2-ylquinolin-2-yl]methanimine?
The IUPAC name of N-[3-ethenyl-4,4-dimethyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1-pyridin-2-ylquinolin-2-yl]methanimine (CID 142352589) is N-[3-ethenyl-4,4-dimethyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1-pyridin-2-ylquinolin-2-yl]methanimine.
What is the SMILES notation for N-[3-ethenyl-4,4-dimethyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1-pyridin-2-ylquinolin-2-yl]methanimine?
The canonical SMILES for N-[3-ethenyl-4,4-dimethyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1-pyridin-2-ylquinolin-2-yl]methanimine is C=CC1=C(N=C)N(c2ccccn2)c2ccc(-c3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3)cc2C1(C)C.
What is the InChIKey of N-[3-ethenyl-4,4-dimethyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1-pyridin-2-ylquinolin-2-yl]methanimine?
The InChIKey is QVJKRWGHEDDRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N3/c1-5-38-44(46-4)48(41-24-13-14-27-47-41)40-26-25-32(29-39(40)45(38,2)3)31-18-15-19-33(28-31)43-36-22-11-9-20-34(36)42(30-16-7-6-8-17-30)35-21-10-12-23-37(35)43/h5-29H,1,4H2,2-3H3.
What are the key properties of N-[3-ethenyl-4,4-dimethyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1-pyridin-2-ylquinolin-2-yl]methanimine?
N-[3-ethenyl-4,4-dimethyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1-pyridin-2-ylquinolin-2-yl]methanimine has a molecular weight of 617.80 g/mol, XLogP of 11.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethenyl-4,4-dimethyl-6-[3-(10-phenylanthracen-9-yl)phenyl]-1-pyridin-2-ylquinolin-2-yl]methanimine is sourced from PubChem (CID 142352589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).