12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

C42H25N5O — CID 118488610

IUPAC12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc6ccccc6c5c5ccc6c7ccccc7oc6c54)nc3)n2)cc1
InChIInChI=1S/C42H25N5O/c1-3-12-27(13-4-1)40-44-41(28-14-5-2-6-15-28)46-42(45-40)29-20-24-36(43-25-29)47-34-23-19-26-11-7-8-16-30(26)37(34)33-22-21-32-31-17-9-10-18-35(31)48-39(32)38(33)47/h1-25H
InChIKeyMBSUMHKMYJZGOV-UHFFFAOYSA-N
MW615.70 g/mol
LogP10.42
Rot. Bonds4

About 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene

12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (PubChem CID 118488610) has the molecular formula C42H25N5O and a molecular weight of 615.70 g/mol. Its IUPAC name is 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.

Molecular Properties

Compound Name12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
PubChem CID118488610
Molecular FormulaC42H25N5O
Molecular Weight615.70 g/mol
Exact Mass615.21
IUPAC Name12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc6ccccc6c5c5ccc6c7ccccc7oc6c54)nc3)n2)cc1
InChIInChI=1S/C42H25N5O/c1-3-12-27(13-4-1)40-44-41(28-14-5-2-6-15-28)46-42(45-40)29-20-24-36(43-25-29)47-34-23-19-26-11-7-8-16-30(26)37(34)33-22-21-32-31-17-9-10-18-35(31)48-39(32)38(33)47/h1-25H
InChIKeyMBSUMHKMYJZGOV-UHFFFAOYSA-N
XLogP10.42
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.70
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The IUPAC name of 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene (CID 118488610) is 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene.
What is the SMILES notation for 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The canonical SMILES for 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc6ccccc6c5c5ccc6c7ccccc7oc6c54)nc3)n2)cc1.
What is the InChIKey of 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
The InChIKey is MBSUMHKMYJZGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N5O/c1-3-12-27(13-4-1)40-44-41(28-14-5-2-6-15-28)46-42(45-40)29-20-24-36(43-25-29)47-34-23-19-26-11-7-8-16-30(26)37(34)33-22-21-32-31-17-9-10-18-35(31)48-39(32)38(33)47/h1-25H.
What are the key properties of 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene?
12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene has a molecular weight of 615.70 g/mol, XLogP of 10.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-15-oxa-12-azahexacyclo[11.11.0.02,11.03,8.014,22.016,21]tetracosa-1(13),2(11),3,5,7,9,14(22),16,18,20,23-undecaene is sourced from PubChem (CID 118488610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).