5,13-bis(4-methoxyphenyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene

C29H26N2O2 — CID 11532152

IUPAC5,13-bis(4-methoxyphenyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
SMILESCOc1ccc(-c2ccc3c(c2)CN2CN3Cc3cc(-c4ccc(OC)cc4)ccc32)cc1
InChIInChI=1S/C29H26N2O2/c1-32-26-9-3-20(4-10-26)22-7-13-28-24(15-22)17-30-19-31(28)18-25-16-23(8-14-29(25)30)21-5-11-27(33-2)12-6-21/h3-16H,17-19H2,1-2H3
InChIKeyFMGQIGYZOFBMTQ-UHFFFAOYSA-N
MW434.54 g/mol
LogP6.34
Rot. Bonds4

About 5,13-bis(4-methoxyphenyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene

5,13-bis(4-methoxyphenyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene (PubChem CID 11532152) has the molecular formula C29H26N2O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 5,13-bis(4-methoxyphenyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene.

Molecular Properties

Compound Name5,13-bis(4-methoxyphenyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
PubChem CID11532152
Molecular FormulaC29H26N2O2
Molecular Weight434.54 g/mol
Exact Mass434.20
IUPAC Name5,13-bis(4-methoxyphenyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
SMILESCOc1ccc(-c2ccc3c(c2)CN2CN3Cc3cc(-c4ccc(OC)cc4)ccc32)cc1
InChIInChI=1S/C29H26N2O2/c1-32-26-9-3-20(4-10-26)22-7-13-28-24(15-22)17-30-19-31(28)18-25-16-23(8-14-29(25)30)21-5-11-27(33-2)12-6-21/h3-16H,17-19H2,1-2H3
InChIKeyFMGQIGYZOFBMTQ-UHFFFAOYSA-N
XLogP6.34
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,13-bis(4-methoxyphenyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene with MolForge

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Related Compounds

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6-(4-methoxyphenyl)-3-methyl-1H-indene
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2,7-bis(4-methoxyphenyl)-[1]benzothiolo[3,2-b][1]benzothiole
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1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
1-methoxy-5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 155221844
6-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 20500036
5,10,15,20-tetrakis(4-methoxyphenyl)-1,6,11,16,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-3(24),4,8(23),9,13(22),14,18(21),19-octaene
CID 15385570
13-methyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaen-5-amine
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1-methoxy-4-[3-(3-methoxyphenyl)phenyl]benzene
CID 66934064

Frequently Asked Questions

What is the IUPAC name of 5,13-bis(4-methoxyphenyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
The IUPAC name of 5,13-bis(4-methoxyphenyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene (CID 11532152) is 5,13-bis(4-methoxyphenyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene.
What is the SMILES notation for 5,13-bis(4-methoxyphenyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
The canonical SMILES for 5,13-bis(4-methoxyphenyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene is COc1ccc(-c2ccc3c(c2)CN2CN3Cc3cc(-c4ccc(OC)cc4)ccc32)cc1.
What is the InChIKey of 5,13-bis(4-methoxyphenyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
The InChIKey is FMGQIGYZOFBMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O2/c1-32-26-9-3-20(4-10-26)22-7-13-28-24(15-22)17-30-19-31(28)18-25-16-23(8-14-29(25)30)21-5-11-27(33-2)12-6-21/h3-16H,17-19H2,1-2H3.
What are the key properties of 5,13-bis(4-methoxyphenyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene?
5,13-bis(4-methoxyphenyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene has a molecular weight of 434.54 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13-bis(4-methoxyphenyl)-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene is sourced from PubChem (CID 11532152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).