8-[4-[[4-[[4-(10-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C41H32N6 — CID 143035764

IUPAC8-[4-[[4-[[4-(10-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCN1CC=Cc2c1n(-c1ccc(Cc3ccc(Cc4ccc(-n5c6ncccc6c6cccnc65)cc4)cc3)cc1)c1ncccc21
InChIInChI=1S/C41H32N6/c1-45-25-5-9-37-36-8-4-24-44-40(36)47(41(37)45)33-20-16-31(17-21-33)27-29-12-10-28(11-13-29)26-30-14-18-32(19-15-30)46-38-34(6-2-22-42-38)35-7-3-23-43-39(35)46/h2-24H,25-27H2,1H3
InChIKeyVYFRTEGOLLLTDZ-UHFFFAOYSA-N
MW608.75 g/mol
LogP8.56
Rot. Bonds6

About 8-[4-[[4-[[4-(10-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

8-[4-[[4-[[4-(10-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 143035764) has the molecular formula C41H32N6 and a molecular weight of 608.75 g/mol. Its IUPAC name is 8-[4-[[4-[[4-(10-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name8-[4-[[4-[[4-(10-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID143035764
Molecular FormulaC41H32N6
Molecular Weight608.75 g/mol
Exact Mass608.27
IUPAC Name8-[4-[[4-[[4-(10-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCN1CC=Cc2c1n(-c1ccc(Cc3ccc(Cc4ccc(-n5c6ncccc6c6cccnc65)cc4)cc3)cc1)c1ncccc21
InChIInChI=1S/C41H32N6/c1-45-25-5-9-37-36-8-4-24-44-40(36)47(41(37)45)33-20-16-31(17-21-33)27-29-12-10-28(11-13-29)26-30-14-18-32(19-15-30)46-38-34(6-2-22-42-38)35-7-3-23-43-39(35)46/h2-24H,25-27H2,1H3
InChIKeyVYFRTEGOLLLTDZ-UHFFFAOYSA-N
XLogP8.56
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.75
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[4-[[4-[[4-(10-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-[4-[[4-[[4-(10-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 8-[4-[[4-[[4-(10-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 143035764) is 8-[4-[[4-[[4-(10-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 8-[4-[[4-[[4-(10-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 8-[4-[[4-[[4-(10-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is CN1CC=Cc2c1n(-c1ccc(Cc3ccc(Cc4ccc(-n5c6ncccc6c6cccnc65)cc4)cc3)cc1)c1ncccc21.
What is the InChIKey of 8-[4-[[4-[[4-(10-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is VYFRTEGOLLLTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N6/c1-45-25-5-9-37-36-8-4-24-44-40(36)47(41(37)45)33-20-16-31(17-21-33)27-29-12-10-28(11-13-29)26-30-14-18-32(19-15-30)46-38-34(6-2-22-42-38)35-7-3-23-43-39(35)46/h2-24H,25-27H2,1H3.
What are the key properties of 8-[4-[[4-[[4-(10-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
8-[4-[[4-[[4-(10-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 608.75 g/mol, XLogP of 8.56, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[[4-[[4-(10-methyl-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,12-pentaen-8-yl)phenyl]methyl]phenyl]methyl]phenyl]-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 143035764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).