5-methoxy-8,9-bis(4-methylphenyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene

C30H24N2O — CID 132562122

IUPAC5-methoxy-8,9-bis(4-methylphenyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
SMILESCOc1ccc2c(c1)c(-c1ccc(C)cc1)c(-c1ccc(C)cc1)c1c2nc2ccccn21
InChIInChI=1S/C30H24N2O/c1-19-7-11-21(12-8-19)27-25-18-23(33-3)15-16-24(25)29-30(32-17-5-4-6-26(32)31-29)28(27)22-13-9-20(2)10-14-22/h4-18H,1-3H3
InChIKeyZGORDFSRCQOLBQ-UHFFFAOYSA-N
MW428.54 g/mol
LogP7.60
Rot. Bonds3

About 5-methoxy-8,9-bis(4-methylphenyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene

5-methoxy-8,9-bis(4-methylphenyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene (PubChem CID 132562122) has the molecular formula C30H24N2O and a molecular weight of 428.54 g/mol. Its IUPAC name is 5-methoxy-8,9-bis(4-methylphenyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene.

Molecular Properties

Compound Name5-methoxy-8,9-bis(4-methylphenyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
PubChem CID132562122
Molecular FormulaC30H24N2O
Molecular Weight428.54 g/mol
Exact Mass428.19
IUPAC Name5-methoxy-8,9-bis(4-methylphenyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene
SMILESCOc1ccc2c(c1)c(-c1ccc(C)cc1)c(-c1ccc(C)cc1)c1c2nc2ccccn21
InChIInChI=1S/C30H24N2O/c1-19-7-11-21(12-8-19)27-25-18-23(33-3)15-16-24(25)29-30(32-17-5-4-6-26(32)31-29)28(27)22-13-9-20(2)10-14-22/h4-18H,1-3H3
InChIKeyZGORDFSRCQOLBQ-UHFFFAOYSA-N
XLogP7.60
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-8,9-bis(4-methylphenyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene with MolForge

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Related Compounds

8,9-bis[4-(2-phenylethynyl)phenyl]-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 177392825
3-methoxy-9-(4-methylphenyl)-10-phenylphenanthrene
CID 154708061
5-(4-methoxyphenyl)-4-(4-methylphenyl)pyrrolo[1,2-a]quinoline
CID 53387757
[4-[2-[4-bis(2,4,6-trimethylphenyl)boranylphenyl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaen-9-yl]phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 59211458
2,9-bis[4-[(E)-2-phenylethenyl]phenyl]-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
CID 58121907
3-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-amine
CID 162644222
11-chloro-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene
CID 132570518
6-methoxy-3-methyl-2-(4-methylphenyl)-4-phenylquinoline
CID 56958029
11-ethyl-15,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,16,18,20-decaene
CID 132570511
3-(4-methoxyphenyl)-2-(4-methylphenyl)phenanthro[9,10-b]pyrazine
CID 59081570
2-methoxy-6-methylnaphthalene;2-methylnaphthalene
CID 161453855
9-phenyl-2-(2-phenylphenyl)-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene
CID 143396339

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-8,9-bis(4-methylphenyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?
The IUPAC name of 5-methoxy-8,9-bis(4-methylphenyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene (CID 132562122) is 5-methoxy-8,9-bis(4-methylphenyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene.
What is the SMILES notation for 5-methoxy-8,9-bis(4-methylphenyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?
The canonical SMILES for 5-methoxy-8,9-bis(4-methylphenyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene is COc1ccc2c(c1)c(-c1ccc(C)cc1)c(-c1ccc(C)cc1)c1c2nc2ccccn21.
What is the InChIKey of 5-methoxy-8,9-bis(4-methylphenyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?
The InChIKey is ZGORDFSRCQOLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O/c1-19-7-11-21(12-8-19)27-25-18-23(33-3)15-16-24(25)29-30(32-17-5-4-6-26(32)31-29)28(27)22-13-9-20(2)10-14-22/h4-18H,1-3H3.
What are the key properties of 5-methoxy-8,9-bis(4-methylphenyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene?
5-methoxy-8,9-bis(4-methylphenyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene has a molecular weight of 428.54 g/mol, XLogP of 7.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-8,9-bis(4-methylphenyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,12,14,16-octaene is sourced from PubChem (CID 132562122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).