7,20-bis(4-methoxyphenyl)-10,17-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(24),2,4(9),5,7,11,13,15,18(23),19,21-undecaene

C36H26N2O2 — CID 101478902

IUPAC7,20-bis(4-methoxyphenyl)-10,17-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(24),2,4(9),5,7,11,13,15,18(23),19,21-undecaene
SMILESCOc1ccc(-c2ccc3cc4c5cc6ccc(-c7ccc(OC)cc7)cc6n5c5ccccc5n4c3c2)cc1
InChIInChI=1S/C36H26N2O2/c1-39-29-15-11-23(12-16-29)25-7-9-27-21-35-36-22-28-10-8-26(24-13-17-30(40-2)18-14-24)20-34(28)38(36)32-6-4-3-5-31(32)37(35)33(27)19-25/h3-22H,1-2H3
InChIKeyJPJHKQAJDHHDQC-UHFFFAOYSA-N
MW518.62 g/mol
LogP9.00
Rot. Bonds4

About 7,20-bis(4-methoxyphenyl)-10,17-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(24),2,4(9),5,7,11,13,15,18(23),19,21-undecaene

7,20-bis(4-methoxyphenyl)-10,17-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(24),2,4(9),5,7,11,13,15,18(23),19,21-undecaene (PubChem CID 101478902) has the molecular formula C36H26N2O2 and a molecular weight of 518.62 g/mol. Its IUPAC name is 7,20-bis(4-methoxyphenyl)-10,17-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(24),2,4(9),5,7,11,13,15,18(23),19,21-undecaene.

Molecular Properties

Compound Name7,20-bis(4-methoxyphenyl)-10,17-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(24),2,4(9),5,7,11,13,15,18(23),19,21-undecaene
PubChem CID101478902
Molecular FormulaC36H26N2O2
Molecular Weight518.62 g/mol
Exact Mass518.20
IUPAC Name7,20-bis(4-methoxyphenyl)-10,17-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(24),2,4(9),5,7,11,13,15,18(23),19,21-undecaene
SMILESCOc1ccc(-c2ccc3cc4c5cc6ccc(-c7ccc(OC)cc7)cc6n5c5ccccc5n4c3c2)cc1
InChIInChI=1S/C36H26N2O2/c1-39-29-15-11-23(12-16-29)25-7-9-27-21-35-36-22-28-10-8-26(24-13-17-30(40-2)18-14-24)20-34(28)38(36)32-6-4-3-5-31(32)37(35)33(27)19-25/h3-22H,1-2H3
InChIKeyJPJHKQAJDHHDQC-UHFFFAOYSA-N
XLogP9.00
TPSA27.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.62
LogP ≤ 59.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7,20-bis(4-methoxyphenyl)-10,17-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(24),2,4(9),5,7,11,13,15,18(23),19,21-undecaene with MolForge

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Related Compounds

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CID 71507368
2-methoxynaphthalene;2-phenylnaphthalene
CID 173269029
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
1-(methoxymethyl)-2-(4-methoxyphenyl)indole
CID 177434796
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CID 25138852
1-tert-butyl-6-(4-methoxyphenyl)indole
CID 139382452
9-[4-(4-methoxyphenyl)phenyl]carbazole
CID 58905910
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
3-(4-methoxyphenyl)pyrido[1,2-a]benzimidazole
CID 67300877
11-[4,6-bis(4-methoxyphenyl)-1,3,5-triazin-2-yl]-1,11-diazaheptacyclo[14.12.0.02,14.04,12.05,10.017,22.023,28]octacosa-2,4(12),5,7,9,13,15,17,19,21,23,25,27-tridecaene
CID 118330867

Frequently Asked Questions

What is the IUPAC name of 7,20-bis(4-methoxyphenyl)-10,17-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(24),2,4(9),5,7,11,13,15,18(23),19,21-undecaene?
The IUPAC name of 7,20-bis(4-methoxyphenyl)-10,17-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(24),2,4(9),5,7,11,13,15,18(23),19,21-undecaene (CID 101478902) is 7,20-bis(4-methoxyphenyl)-10,17-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(24),2,4(9),5,7,11,13,15,18(23),19,21-undecaene.
What is the SMILES notation for 7,20-bis(4-methoxyphenyl)-10,17-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(24),2,4(9),5,7,11,13,15,18(23),19,21-undecaene?
The canonical SMILES for 7,20-bis(4-methoxyphenyl)-10,17-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(24),2,4(9),5,7,11,13,15,18(23),19,21-undecaene is COc1ccc(-c2ccc3cc4c5cc6ccc(-c7ccc(OC)cc7)cc6n5c5ccccc5n4c3c2)cc1.
What is the InChIKey of 7,20-bis(4-methoxyphenyl)-10,17-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(24),2,4(9),5,7,11,13,15,18(23),19,21-undecaene?
The InChIKey is JPJHKQAJDHHDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2O2/c1-39-29-15-11-23(12-16-29)25-7-9-27-21-35-36-22-28-10-8-26(24-13-17-30(40-2)18-14-24)20-34(28)38(36)32-6-4-3-5-31(32)37(35)33(27)19-25/h3-22H,1-2H3.
What are the key properties of 7,20-bis(4-methoxyphenyl)-10,17-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(24),2,4(9),5,7,11,13,15,18(23),19,21-undecaene?
7,20-bis(4-methoxyphenyl)-10,17-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(24),2,4(9),5,7,11,13,15,18(23),19,21-undecaene has a molecular weight of 518.62 g/mol, XLogP of 9.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,20-bis(4-methoxyphenyl)-10,17-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(24),2,4(9),5,7,11,13,15,18(23),19,21-undecaene is sourced from PubChem (CID 101478902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).