2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione

C30H26N2O2 — CID 145450912

IUPAC2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione
SMILESC=Cc1c(C(=C)CC)n(C)c2cc3c(=O)c4cccc(-c5ccccc5)c4n(C)c3cc2c1=O
InChIInChI=1S/C30H26N2O2/c1-6-18(3)27-20(7-2)29(33)23-16-26-24(17-25(23)31(27)4)30(34)22-15-11-14-21(28(22)32(26)5)19-12-9-8-10-13-19/h7-17H,2-3,6H2,1,4-5H3
InChIKeySRWRGOBULMTHSN-UHFFFAOYSA-N
MW446.55 g/mol
LogP6.28
Rot. Bonds4

About 2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione

2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione (PubChem CID 145450912) has the molecular formula C30H26N2O2 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione.

Molecular Properties

Compound Name2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione
PubChem CID145450912
Molecular FormulaC30H26N2O2
Molecular Weight446.55 g/mol
Exact Mass446.20
IUPAC Name2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione
SMILESC=Cc1c(C(=C)CC)n(C)c2cc3c(=O)c4cccc(-c5ccccc5)c4n(C)c3cc2c1=O
InChIInChI=1S/C30H26N2O2/c1-6-18(3)27-20(7-2)29(33)23-16-26-24(17-25(23)31(27)4)30(34)22-15-11-14-21(28(22)32(26)5)19-12-9-8-10-13-19/h7-17H,2-3,6H2,1,4-5H3
InChIKeySRWRGOBULMTHSN-UHFFFAOYSA-N
XLogP6.28
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione with MolForge

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Related Compounds

5,12-diethyl-4,11-diphenylquinolino[2,3-b]acridine-7,14-dione
CID 138654426
4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138654549
7,9-dimethyl-1-phenylcarbazole
CID 118392012
9-methyl-8-phenylcarbazol-2-amine
CID 170259694
7-methyl-8-phenyl-[1]benzofuro[2,3-b]carbazole
CID 169027641
3-ethenyl-1-ethyl-6-(N-ethyl-2-methyl-6-phenylanilino)-2-[(4Z,6Z)-octa-1,4,6-trien-2-yl]-4-oxoquinoline-7-carbaldehyde
CID 145450897
5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 2844779
1-[2,3-bis(ethenyl)-1-methylindol-7-yl]-9-methylcarbazole
CID 145430239
4,11-bis(2-fluorophenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;4,11-di(anthracen-9-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(phenanthren-9-yl)quinolino[2,3-b]acridine-7,14-dione;5,12-dimethyl-4,11-di(pyren-2-yl)quinolino[2,3-b]acridine-7,14-dione
CID 158182554
4-(9-methylcarbazol-1-yl)-N,N-bis[4-(9-methylcarbazol-1-yl)phenyl]aniline
CID 146558759
12-methyl-1,11-diphenylindolo[2,3-a]carbazole
CID 176615335
5,12-diethyl-4,11-diphenyl-7a,11a-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 163818727

Frequently Asked Questions

What is the IUPAC name of 2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione?
The IUPAC name of 2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione (CID 145450912) is 2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione.
What is the SMILES notation for 2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione?
The canonical SMILES for 2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione is C=Cc1c(C(=C)CC)n(C)c2cc3c(=O)c4cccc(-c5ccccc5)c4n(C)c3cc2c1=O.
What is the InChIKey of 2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione?
The InChIKey is SRWRGOBULMTHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O2/c1-6-18(3)27-20(7-2)29(33)23-16-26-24(17-25(23)31(27)4)30(34)22-15-11-14-21(28(22)32(26)5)19-12-9-8-10-13-19/h7-17H,2-3,6H2,1,4-5H3.
What are the key properties of 2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione?
2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione has a molecular weight of 446.55 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-en-2-yl-3-ethenyl-1,6-dimethyl-7-phenylpyrido[2,3-b]acridine-4,11-dione is sourced from PubChem (CID 145450912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).