(4E,5Z)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-ethylidene-4-prop-2-enylidene-9,23-dioxa-3,16-diazahexacyclo[14.7.1.02,6.08,24.010,15.017,22]tetracosa-1,6,8(24),10,12,14,17,19,21-nonaene

C40H27N5O2 — CID 155419405

About (4E,5Z)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-ethylidene-4-prop-2-enylidene-9,23-dioxa-3,16-diazahexacyclo[14.7.1.02,6.08,24.010,15.017,22]tetracosa-1,6,8(24),10,12,14,17,19,21-nonaene

(4E,5Z)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-ethylidene-4-prop-2-enylidene-9,23-dioxa-3,16-diazahexacyclo[14.7.1.02,6.08,24.010,15.017,22]tetracosa-1,6,8(24),10,12,14,17,19,21-nonaene (PubChem CID 155419405) has the molecular formula C40H27N5O2 and a molecular weight of 609.69 g/mol. Its IUPAC name is (4E,5Z)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-ethylidene-4-prop-2-enylidene-9,23-dioxa-3,16-diazahexacyclo[14.7.1.02,6.08,24.010,15.017,22]tetracosa-1,6,8(24),10,12,14,17,19,21-nonaene.

Molecular Properties

• Compound Name: (4E,5Z)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-ethylidene-4-prop-2-enylidene-9,23-dioxa-3,16-diazahexacyclo[14.7.1.02,6.08,24.010,15.017,22]tetracosa-1,6,8(24),10,12,14,17,19,21-nonaene
• PubChem CID: 155419405
• Molecular Formula: C40H27N5O2
• Molecular Weight: 609.69 g/mol
• Exact Mass: 609.22
• IUPAC Name: (4E,5Z)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-ethylidene-4-prop-2-enylidene-9,23-dioxa-3,16-diazahexacyclo[14.7.1.02,6.08,24.010,15.017,22]tetracosa-1,6,8(24),10,12,14,17,19,21-nonaene
• SMILES: C=C/C=c1\c(=C/C)c2cc3c4c(c2n1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1)Oc1ccccc1N4c1ccccc1O3
• InChI: InChI=1S/C40H27N5O2/c1-3-15-29-27(4-2)28-24-34-36-37(47-33-23-14-12-21-31(33)44(36)30-20-11-13-22-32(30)46-34)35(28)45(29)40-42-38(25-16-7-5-8-17-25)41-39(43-40)26-18-9-6-10-19-26/h3-24H,1H2,2H3/b27-4-,29-15+
• InChIKey: HQSBVUZKZVDUDS-YGDXSZDLSA-N
• XLogP: 8.60
• TPSA: 65.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.69
LogP ≤ 5	8.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4E,5Z)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-ethylidene-4-prop-2-enylidene-9,23-dioxa-3,16-diazahexacyclo[14.7.1.02,6.08,24.010,15.017,22]tetracosa-1,6,8(24),10,12,14,17,19,21-nonaene?

The IUPAC name of (4E,5Z)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-ethylidene-4-prop-2-enylidene-9,23-dioxa-3,16-diazahexacyclo[14.7.1.02,6.08,24.010,15.017,22]tetracosa-1,6,8(24),10,12,14,17,19,21-nonaene (CID 155419405) is (4E,5Z)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-ethylidene-4-prop-2-enylidene-9,23-dioxa-3,16-diazahexacyclo[14.7.1.02,6.08,24.010,15.017,22]tetracosa-1,6,8(24),10,12,14,17,19,21-nonaene.

What is the SMILES notation for (4E,5Z)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-ethylidene-4-prop-2-enylidene-9,23-dioxa-3,16-diazahexacyclo[14.7.1.02,6.08,24.010,15.017,22]tetracosa-1,6,8(24),10,12,14,17,19,21-nonaene?

The canonical SMILES for (4E,5Z)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-ethylidene-4-prop-2-enylidene-9,23-dioxa-3,16-diazahexacyclo[14.7.1.02,6.08,24.010,15.017,22]tetracosa-1,6,8(24),10,12,14,17,19,21-nonaene is C=C/C=c1\c(=C/C)c2cc3c4c(c2n1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1)Oc1ccccc1N4c1ccccc1O3.

What is the InChIKey of (4E,5Z)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-ethylidene-4-prop-2-enylidene-9,23-dioxa-3,16-diazahexacyclo[14.7.1.02,6.08,24.010,15.017,22]tetracosa-1,6,8(24),10,12,14,17,19,21-nonaene?

The InChIKey is HQSBVUZKZVDUDS-YGDXSZDLSA-N. The full InChI is InChI=1S/C40H27N5O2/c1-3-15-29-27(4-2)28-24-34-36-37(47-33-23-14-12-21-31(33)44(36)30-20-11-13-22-32(30)46-34)35(28)45(29)40-42-38(25-16-7-5-8-17-25)41-39(43-40)26-18-9-6-10-19-26/h3-24H,1H2,2H3/b27-4-,29-15+.

What are the key properties of (4E,5Z)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-ethylidene-4-prop-2-enylidene-9,23-dioxa-3,16-diazahexacyclo[14.7.1.02,6.08,24.010,15.017,22]tetracosa-1,6,8(24),10,12,14,17,19,21-nonaene?

(4E,5Z)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-ethylidene-4-prop-2-enylidene-9,23-dioxa-3,16-diazahexacyclo[14.7.1.02,6.08,24.010,15.017,22]tetracosa-1,6,8(24),10,12,14,17,19,21-nonaene has a molecular weight of 609.69 g/mol, XLogP of 8.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4E,5Z)-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-ethylidene-4-prop-2-enylidene-9,23-dioxa-3,16-diazahexacyclo[14.7.1.02,6.08,24.010,15.017,22]tetracosa-1,6,8(24),10,12,14,17,19,21-nonaene is sourced from PubChem (CID 155419405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).