11-[5-[2-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]benzo[b]carbazol-5-yl]-8-phenyl-3,4-dihydronaphthalen-2-yl]-15-[2-[5-(6-phenyl-3,4-dihydronaphthalen-2-yl)benzo[b]carbazol-2-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

C116H70N8O2 — CID 139539141

About 11-[5-[2-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]benzo[b]carbazol-5-yl]-8-phenyl-3,4-dihydronaphthalen-2-yl]-15-[2-[5-(6-phenyl-3,4-dihydronaphthalen-2-yl)benzo[b]carbazol-2-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene

11-[5-[2-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]benzo[b]carbazol-5-yl]-8-phenyl-3,4-dihydronaphthalen-2-yl]-15-[2-[5-(6-phenyl-3,4-dihydronaphthalen-2-yl)benzo[b]carbazol-2-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (PubChem CID 139539141) has the molecular formula C116H70N8O2 and a molecular weight of 1607.89 g/mol. Its IUPAC name is 11-[5-[2-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]benzo[b]carbazol-5-yl]-8-phenyl-3,4-dihydronaphthalen-2-yl]-15-[2-[5-(6-phenyl-3,4-dihydronaphthalen-2-yl)benzo[b]carbazol-2-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

Molecular Properties

• Compound Name: 11-[5-[2-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]benzo[b]carbazol-5-yl]-8-phenyl-3,4-dihydronaphthalen-2-yl]-15-[2-[5-(6-phenyl-3,4-dihydronaphthalen-2-yl)benzo[b]carbazol-2-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• PubChem CID: 139539141
• Molecular Formula: C116H70N8O2
• Molecular Weight: 1607.89 g/mol
• Exact Mass: 1606.56
• IUPAC Name: 11-[5-[2-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]benzo[b]carbazol-5-yl]-8-phenyl-3,4-dihydronaphthalen-2-yl]-15-[2-[5-(6-phenyl-3,4-dihydronaphthalen-2-yl)benzo[b]carbazol-2-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
• SMILES: C1=C(c2cc3c4c(nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7cc9ccccc9cc7n8C7=Cc8ccc(-c9ccccc9)cc8CC7)cc65)nc4c2)-c2ccccc2O3)CCc2c(-n3c4ccc(-c5ccc6c7ccccc7n(-c7nc8c9c(cccc9n7)Oc7ccccc7-8)c6c5)cc4c4cc5ccccc5cc43)ccc(-c3ccccc3)c21
• InChI: InChI=1S/C116H70N8O2/c1-3-20-67(21-4-1)73-38-39-75-55-82(46-40-74(75)54-73)121-101-51-44-76(59-92(101)94-57-69-24-7-9-26-71(69)62-105(94)121)79-42-48-87-85-29-12-16-34-99(85)124(104(87)65-79)116-118-97-61-81(66-110-112(97)114(120-116)90-31-14-18-36-108(90)126-110)78-41-49-88-91(56-78)83(68-22-5-2-6-23-68)50-53-100(88)122-102-52-45-77(60-93(102)95-58-70-25-8-10-27-72(70)63-106(95)122)80-43-47-86-84-28-11-15-33-98(84)123(103(86)64-80)115-117-96-32-19-37-109-111(96)113(119-115)89-30-13-17-35-107(89)125-109/h1-39,42-45,47-48,50-66H,40-41,46,49H2
• InChIKey: GOTRUJUFEVFCDY-UHFFFAOYSA-N
• XLogP: 29.92
• TPSA: 89.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1607.89
LogP ≤ 5	29.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 11-[5-[2-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]benzo[b]carbazol-5-yl]-8-phenyl-3,4-dihydronaphthalen-2-yl]-15-[2-[5-(6-phenyl-3,4-dihydronaphthalen-2-yl)benzo[b]carbazol-2-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The IUPAC name of 11-[5-[2-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]benzo[b]carbazol-5-yl]-8-phenyl-3,4-dihydronaphthalen-2-yl]-15-[2-[5-(6-phenyl-3,4-dihydronaphthalen-2-yl)benzo[b]carbazol-2-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene (CID 139539141) is 11-[5-[2-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]benzo[b]carbazol-5-yl]-8-phenyl-3,4-dihydronaphthalen-2-yl]-15-[2-[5-(6-phenyl-3,4-dihydronaphthalen-2-yl)benzo[b]carbazol-2-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene.

What is the SMILES notation for 11-[5-[2-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]benzo[b]carbazol-5-yl]-8-phenyl-3,4-dihydronaphthalen-2-yl]-15-[2-[5-(6-phenyl-3,4-dihydronaphthalen-2-yl)benzo[b]carbazol-2-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The canonical SMILES for 11-[5-[2-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]benzo[b]carbazol-5-yl]-8-phenyl-3,4-dihydronaphthalen-2-yl]-15-[2-[5-(6-phenyl-3,4-dihydronaphthalen-2-yl)benzo[b]carbazol-2-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is C1=C(c2cc3c4c(nc(-n5c6ccccc6c6ccc(-c7ccc8c(c7)c7cc9ccccc9cc7n8C7=Cc8ccc(-c9ccccc9)cc8CC7)cc65)nc4c2)-c2ccccc2O3)CCc2c(-n3c4ccc(-c5ccc6c7ccccc7n(-c7nc8c9c(cccc9n7)Oc7ccccc7-8)c6c5)cc4c4cc5ccccc5cc43)ccc(-c3ccccc3)c21.

What is the InChIKey of 11-[5-[2-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]benzo[b]carbazol-5-yl]-8-phenyl-3,4-dihydronaphthalen-2-yl]-15-[2-[5-(6-phenyl-3,4-dihydronaphthalen-2-yl)benzo[b]carbazol-2-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

The InChIKey is GOTRUJUFEVFCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H70N8O2/c1-3-20-67(21-4-1)73-38-39-75-55-82(46-40-74(75)54-73)121-101-51-44-76(59-92(101)94-57-69-24-7-9-26-71(69)62-105(94)121)79-42-48-87-85-29-12-16-34-99(85)124(104(87)65-79)116-118-97-61-81(66-110-112(97)114(120-116)90-31-14-18-36-108(90)126-110)78-41-49-88-91(56-78)83(68-22-5-2-6-23-68)50-53-100(88)122-102-52-45-77(60-93(102)95-58-70-25-8-10-27-72(70)63-106(95)122)80-43-47-86-84-28-11-15-33-98(84)123(103(86)64-80)115-117-96-32-19-37-109-111(96)113(119-115)89-30-13-17-35-107(89)125-109/h1-39,42-45,47-48,50-66H,40-41,46,49H2.

What are the key properties of 11-[5-[2-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]benzo[b]carbazol-5-yl]-8-phenyl-3,4-dihydronaphthalen-2-yl]-15-[2-[5-(6-phenyl-3,4-dihydronaphthalen-2-yl)benzo[b]carbazol-2-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene?

11-[5-[2-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]benzo[b]carbazol-5-yl]-8-phenyl-3,4-dihydronaphthalen-2-yl]-15-[2-[5-(6-phenyl-3,4-dihydronaphthalen-2-yl)benzo[b]carbazol-2-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene has a molecular weight of 1607.89 g/mol, XLogP of 29.92, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 11-[5-[2-[9-(8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-15-yl)carbazol-2-yl]benzo[b]carbazol-5-yl]-8-phenyl-3,4-dihydronaphthalen-2-yl]-15-[2-[5-(6-phenyl-3,4-dihydronaphthalen-2-yl)benzo[b]carbazol-2-yl]carbazol-9-yl]-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene is sourced from PubChem (CID 139539141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).