2-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-6,7-dihydro-[1]benzofuro[3,2-c]carbazole

C51H36N2O — CID 145140965

About 2-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-6,7-dihydro-[1]benzofuro[3,2-c]carbazole

2-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-6,7-dihydro-[1]benzofuro[3,2-c]carbazole (PubChem CID 145140965) has the molecular formula C51H36N2O and a molecular weight of 692.86 g/mol. Its IUPAC name is 2-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-6,7-dihydro-[1]benzofuro[3,2-c]carbazole.

Molecular Properties

• Compound Name: 2-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-6,7-dihydro-[1]benzofuro[3,2-c]carbazole
• PubChem CID: 145140965
• Molecular Formula: C51H36N2O
• Molecular Weight: 692.86 g/mol
• Exact Mass: 692.28
• IUPAC Name: 2-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-6,7-dihydro-[1]benzofuro[3,2-c]carbazole
• SMILES: CC1(C)c2ccccc2-c2c1ccc1c2c2cc(-c3ccc4c(c3)c3c(n4-c4ccccc4)CCc4c-3oc3ccccc43)ccc2n1-c1ccccc1
• InChI: InChI=1S/C51H36N2O/c1-51(2)40-19-11-9-18-37(40)47-41(51)24-28-44-48(47)38-29-31(21-25-42(38)52(44)33-13-5-3-6-14-33)32-22-26-43-39(30-32)49-45(53(43)34-15-7-4-8-16-34)27-23-36-35-17-10-12-20-46(35)54-50(36)49/h3-22,24-26,28-30H,23,27H2,1-2H3
• InChIKey: WPZZFJRTRLZLLU-UHFFFAOYSA-N
• XLogP: 13.21
• TPSA: 23.00 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	692.86
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-6,7-dihydro-[1]benzofuro[3,2-c]carbazole?

The IUPAC name of 2-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-6,7-dihydro-[1]benzofuro[3,2-c]carbazole (CID 145140965) is 2-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-6,7-dihydro-[1]benzofuro[3,2-c]carbazole.

What is the SMILES notation for 2-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-6,7-dihydro-[1]benzofuro[3,2-c]carbazole?

The canonical SMILES for 2-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-6,7-dihydro-[1]benzofuro[3,2-c]carbazole is CC1(C)c2ccccc2-c2c1ccc1c2c2cc(-c3ccc4c(c3)c3c(n4-c4ccccc4)CCc4c-3oc3ccccc43)ccc2n1-c1ccccc1.

What is the InChIKey of 2-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-6,7-dihydro-[1]benzofuro[3,2-c]carbazole?

The InChIKey is WPZZFJRTRLZLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H36N2O/c1-51(2)40-19-11-9-18-37(40)47-41(51)24-28-44-48(47)38-29-31(21-25-42(38)52(44)33-13-5-3-6-14-33)32-22-26-43-39(30-32)49-45(53(43)34-15-7-4-8-16-34)27-23-36-35-17-10-12-20-46(35)54-50(36)49/h3-22,24-26,28-30H,23,27H2,1-2H3.

What are the key properties of 2-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-6,7-dihydro-[1]benzofuro[3,2-c]carbazole?

2-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-6,7-dihydro-[1]benzofuro[3,2-c]carbazole has a molecular weight of 692.86 g/mol, XLogP of 13.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(14,14-dimethyl-9-phenyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-5-yl)-5-phenyl-6,7-dihydro-[1]benzofuro[3,2-c]carbazole is sourced from PubChem (CID 145140965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).