1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole

C29H26N2O — CID 75070823

IUPAC1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole
SMILESCOc1ccc(C=Cc2nccc3c4ccccc4n(CCCc4ccccc4)c23)cc1
InChIInChI=1S/C29H26N2O/c1-32-24-16-13-23(14-17-24)15-18-27-29-26(19-20-30-27)25-11-5-6-12-28(25)31(29)21-7-10-22-8-3-2-4-9-22/h2-6,8-9,11-20H,7,10,21H2,1H3
InChIKeyOIMUADDHJPNKBR-UHFFFAOYSA-N
MW418.54 g/mol
LogP7.00
Rot. Bonds7

About 1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole

1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole (PubChem CID 75070823) has the molecular formula C29H26N2O and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole
PubChem CID75070823
Molecular FormulaC29H26N2O
Molecular Weight418.54 g/mol
Exact Mass418.20
IUPAC Name1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole
SMILESCOc1ccc(C=Cc2nccc3c4ccccc4n(CCCc4ccccc4)c23)cc1
InChIInChI=1S/C29H26N2O/c1-32-24-16-13-23(14-17-24)15-18-27-29-26(19-20-30-27)25-11-5-6-12-28(25)31(29)21-7-10-22-8-3-2-4-9-22/h2-6,8-9,11-20H,7,10,21H2,1H3
InChIKeyOIMUADDHJPNKBR-UHFFFAOYSA-N
XLogP7.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-butoxy-1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole
CID 75070824
4-(4-methoxyphenyl)-16-(3-phenylpropyl)-3,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2,4,7,10,12,14-heptaene
CID 171780827
1-methyl-7-phenylmethoxy-9-(3-phenylpropyl)pyrido[3,4-b]indole
CID 46703779
1-methyl-7-phenylmethoxy-9-(3-phenylpropyl)pyrido[3,4-b]indole;hydrobromide
CID 46907529
N,N'-bis[[9-(3-phenylpropyl)pyrido[3,4-b]indol-1-yl]methyl]butane-1,4-diamine;hydrochloride
CID 134131134
1-methyl-7-(3-methylbut-2-enoxy)-9-(3-phenylpropyl)pyrido[3,4-b]indole
CID 71575583
1-methyl-9-(3-phenylpropyl)-7-propan-2-yloxypyrido[3,4-b]indole;hydrochloride
CID 46704401
1-methyl-9-[8-(1-methylpyrido[3,4-b]indol-9-yl)octyl]pyrido[3,4-b]indole
CID 71539374
9-hexylpyrido[3,4-b]indole-1-carbaldehyde
CID 141373632
N',N'-dimethyl-N-[[9-(3-phenylpropyl)pyrido[3,4-b]indol-1-yl]methyl]propane-1,3-diamine
CID 54753268
N',N'-diethyl-N-[[9-(3-phenylpropyl)pyrido[3,4-b]indol-1-yl]methyl]ethane-1,2-diamine
CID 56642027
2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(3-phenoxypropyl)benzimidazole
CID 16999687

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole (CID 75070823) is 1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole is COc1ccc(C=Cc2nccc3c4ccccc4n(CCCc4ccccc4)c23)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole?
The InChIKey is OIMUADDHJPNKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O/c1-32-24-16-13-23(14-17-24)15-18-27-29-26(19-20-30-27)25-11-5-6-12-28(25)31(29)21-7-10-22-8-3-2-4-9-22/h2-6,8-9,11-20H,7,10,21H2,1H3.
What are the key properties of 1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole?
1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole has a molecular weight of 418.54 g/mol, XLogP of 7.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indole is sourced from PubChem (CID 75070823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).