11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-16-ethenyl-15-[(Z)-prop-1-enyl]-8,14-dioxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene

C46H31N5O2 — CID 142461097

About 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-16-ethenyl-15-[(Z)-prop-1-enyl]-8,14-dioxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene

11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-16-ethenyl-15-[(Z)-prop-1-enyl]-8,14-dioxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene (PubChem CID 142461097) has the molecular formula C46H31N5O2 and a molecular weight of 685.79 g/mol. Its IUPAC name is 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-16-ethenyl-15-[(Z)-prop-1-enyl]-8,14-dioxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene.

Molecular Properties

• Compound Name: 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-16-ethenyl-15-[(Z)-prop-1-enyl]-8,14-dioxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene
• PubChem CID: 142461097
• Molecular Formula: C46H31N5O2
• Molecular Weight: 685.79 g/mol
• Exact Mass: 685.25
• IUPAC Name: 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-16-ethenyl-15-[(Z)-prop-1-enyl]-8,14-dioxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene
• SMILES: C=CC1=C(/C=C\C)Oc2cc(-c3cccc4c3c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c2N1c1ccccc1O3
• InChI: InChI=1S/C46H31N5O2/c1-3-16-38-34(4-2)50-36-24-13-14-26-39(36)53-41-28-31(27-40(52-38)43(41)50)32-22-15-25-37-42(32)33-21-11-12-23-35(33)51(37)46-48-44(29-17-7-5-8-18-29)47-45(49-46)30-19-9-6-10-20-30/h3-28H,2H2,1H3/b16-3-
• InChIKey: WFDIHDXJMQQDKT-XFQLMFQHSA-N
• XLogP: 11.58
• TPSA: 65.30 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.79
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-16-ethenyl-15-[(Z)-prop-1-enyl]-8,14-dioxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene?

The IUPAC name of 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-16-ethenyl-15-[(Z)-prop-1-enyl]-8,14-dioxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene (CID 142461097) is 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-16-ethenyl-15-[(Z)-prop-1-enyl]-8,14-dioxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene.

What is the SMILES notation for 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-16-ethenyl-15-[(Z)-prop-1-enyl]-8,14-dioxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene?

The canonical SMILES for 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-16-ethenyl-15-[(Z)-prop-1-enyl]-8,14-dioxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene is C=CC1=C(/C=C\C)Oc2cc(-c3cccc4c3c3ccccc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc3c2N1c1ccccc1O3.

What is the InChIKey of 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-16-ethenyl-15-[(Z)-prop-1-enyl]-8,14-dioxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene?

The InChIKey is WFDIHDXJMQQDKT-XFQLMFQHSA-N. The full InChI is InChI=1S/C46H31N5O2/c1-3-16-38-34(4-2)50-36-24-13-14-26-39(36)53-41-28-31(27-40(52-38)43(41)50)32-22-15-25-37-42(32)33-21-11-12-23-35(33)51(37)46-48-44(29-17-7-5-8-18-29)47-45(49-46)30-19-9-6-10-20-30/h3-28H,2H2,1H3/b16-3-.

What are the key properties of 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-16-ethenyl-15-[(Z)-prop-1-enyl]-8,14-dioxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene?

11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-16-ethenyl-15-[(Z)-prop-1-enyl]-8,14-dioxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene has a molecular weight of 685.79 g/mol, XLogP of 11.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-4-yl]-16-ethenyl-15-[(Z)-prop-1-enyl]-8,14-dioxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene is sourced from PubChem (CID 142461097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).