benzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole)

C86H86N10O7 — CID 158965487

IUPACbenzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole)
SMILESCOc1ccc2c3c([nH]c2c1)C(C)=NCC3.COc1ccc2c3c([nH]c2c1)C(C)=NCC3.COc1ccc2c3c([nH]c2c1)C(CC(CC1=NCCc2c1[nH]c1cc(OC)ccc21)c1ccccc1)=NCC3.COc1ccc2c3c([nH]c2c1)C(CC(O)c1ccccc1)=NCC3.O=Cc1ccccc1
InChIInChI=1S/C33H32N4O2.C20H20N2O2.2C13H14N2O.C7H6O/c1-38-22-8-10-24-26-12-14-34-30(32(26)36-28(24)18-22)16-21(20-6-4-3-5-7-20)17-31-33-27(13-15-35-31)25-11-9-23(39-2)19-29(25)37-33;1-24-14-7-8-15-16-9-10-21-18(20(16)22-17(15)11-14)12-19(23)13-5-3-2-4-6-13;2*1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;8-6-7-4-2-1-3-5-7/h3-11,18-19,21,36-37H,12-17H2,1-2H3;2-8,11,19,22-23H,9-10,12H2,1H3;2*3-4,7,15H,5-6H2,1-2H3;1-6H
InChIKeyJNDMAZRKFAFSNE-UHFFFAOYSA-N
MW1371.70 g/mol
LogP16.85
Rot. Bonds14

About benzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole)

benzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole) (PubChem CID 158965487) has the molecular formula C86H86N10O7 and a molecular weight of 1371.70 g/mol. Its IUPAC name is benzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole).

Molecular Properties

Compound Namebenzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole)
PubChem CID158965487
Molecular FormulaC86H86N10O7
Molecular Weight1371.70 g/mol
Exact Mass1370.67
IUPAC Namebenzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole)
SMILESCOc1ccc2c3c([nH]c2c1)C(C)=NCC3.COc1ccc2c3c([nH]c2c1)C(C)=NCC3.COc1ccc2c3c([nH]c2c1)C(CC(CC1=NCCc2c1[nH]c1cc(OC)ccc21)c1ccccc1)=NCC3.COc1ccc2c3c([nH]c2c1)C(CC(O)c1ccccc1)=NCC3.O=Cc1ccccc1
InChIInChI=1S/C33H32N4O2.C20H20N2O2.2C13H14N2O.C7H6O/c1-38-22-8-10-24-26-12-14-34-30(32(26)36-28(24)18-22)16-21(20-6-4-3-5-7-20)17-31-33-27(13-15-35-31)25-11-9-23(39-2)19-29(25)37-33;1-24-14-7-8-15-16-9-10-21-18(20(16)22-17(15)11-14)12-19(23)13-5-3-2-4-6-13;2*1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;8-6-7-4-2-1-3-5-7/h3-11,18-19,21,36-37H,12-17H2,1-2H3;2-8,11,19,22-23H,9-10,12H2,1H3;2*3-4,7,15H,5-6H2,1-2H3;1-6H
InChIKeyJNDMAZRKFAFSNE-UHFFFAOYSA-N
XLogP16.85
TPSA224.20 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001371.70
LogP ≤ 516.85
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze benzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole) with MolForge

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Related Compounds

4-[1,3-bis(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]benzaldehyde
CID 162706967
1-[2-(4-fluorophenyl)-3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706966
1-[2-(3-fluorophenyl)-3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706986
7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-(4-methoxy-3-phenoxyphenyl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 166963842
7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-(3-methoxy-4-phenylmethoxyphenyl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162707023
7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-(2,4,5-trifluorophenyl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706973
7-methoxy-1-[(Z)-2-phenylethenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 162706982
2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetic acid
CID 137177310
(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)methanol
CID 137258618
[2-methoxy-4-[1-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-3-(7-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propan-2-yl]phenyl] acetate
CID 163442595
1-[3-[7-[[1-[2-cyclopenta-1,3-dien-1-yl-3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indol-7-yl]oxymethoxy]-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl]-2-pyridin-4-ylpropyl]-7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 170981966
7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)propyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
CID 155780424

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole)?
The IUPAC name of benzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole) (CID 158965487) is benzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole).
What is the SMILES notation for benzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole)?
The canonical SMILES for benzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole) is COc1ccc2c3c([nH]c2c1)C(C)=NCC3.COc1ccc2c3c([nH]c2c1)C(C)=NCC3.COc1ccc2c3c([nH]c2c1)C(CC(CC1=NCCc2c1[nH]c1cc(OC)ccc21)c1ccccc1)=NCC3.COc1ccc2c3c([nH]c2c1)C(CC(O)c1ccccc1)=NCC3.O=Cc1ccccc1.
What is the InChIKey of benzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole)?
The InChIKey is JNDMAZRKFAFSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O2.C20H20N2O2.2C13H14N2O.C7H6O/c1-38-22-8-10-24-26-12-14-34-30(32(26)36-28(24)18-22)16-21(20-6-4-3-5-7-20)17-31-33-27(13-15-35-31)25-11-9-23(39-2)19-29(25)37-33;1-24-14-7-8-15-16-9-10-21-18(20(16)22-17(15)11-14)12-19(23)13-5-3-2-4-6-13;2*1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13;8-6-7-4-2-1-3-5-7/h3-11,18-19,21,36-37H,12-17H2,1-2H3;2-8,11,19,22-23H,9-10,12H2,1H3;2*3-4,7,15H,5-6H2,1-2H3;1-6H.
What are the key properties of benzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole)?
benzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole) has a molecular weight of 1371.70 g/mol, XLogP of 16.85, 14 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;2-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-1-phenylethanol;7-methoxy-1-[3-(7-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)-2-phenylpropyl]-4,9-dihydro-3H-pyrido[3,4-b]indole;bis(7-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole) is sourced from PubChem (CID 158965487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).