12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine

C79H52N2O2 — CID 126550533

About 12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine

12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine (PubChem CID 126550533) has the molecular formula C79H52N2O2 and a molecular weight of 1061.30 g/mol. Its IUPAC name is 12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine.

Molecular Properties

• Compound Name: 12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
• PubChem CID: 126550533
• Molecular Formula: C79H52N2O2
• Molecular Weight: 1061.30 g/mol
• Exact Mass: 1060.40
• IUPAC Name: 12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine
• SMILES: CC1(C)c2cc3cc(N(c4ccccc4)c4cccc5c4oc4c(-c6ccccc6)cc6ccccc6c45)ccc3cc2-c2cc3ccc(N(c4ccccc4)c4cccc5c4oc4c(-c6ccccc6)cc6ccccc6c45)cc3cc21
• InChI: InChI=1S/C79H52N2O2/c1-79(2)69-47-55-41-59(80(57-27-11-5-12-28-57)71-35-19-33-63-73-61-31-17-15-25-53(61)45-65(77(73)82-75(63)71)49-21-7-3-8-22-49)39-37-51(55)43-67(69)68-44-52-38-40-60(42-56(52)48-70(68)79)81(58-29-13-6-14-30-58)72-36-20-34-64-74-62-32-18-16-26-54(62)46-66(78(74)83-76(64)72)50-23-9-4-10-24-50/h3-48H,1-2H3
• InChIKey: YLMWQEDDSYEYQM-UHFFFAOYSA-N
• XLogP: 22.68
• TPSA: 32.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1061.30
LogP ≤ 5	22.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?

The IUPAC name of 12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine (CID 126550533) is 12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine.

What is the SMILES notation for 12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?

The canonical SMILES for 12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine is CC1(C)c2cc3cc(N(c4ccccc4)c4cccc5c4oc4c(-c6ccccc6)cc6ccccc6c45)ccc3cc2-c2cc3ccc(N(c4ccccc4)c4cccc5c4oc4c(-c6ccccc6)cc6ccccc6c45)cc3cc21.

What is the InChIKey of 12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?

The InChIKey is YLMWQEDDSYEYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H52N2O2/c1-79(2)69-47-55-41-59(80(57-27-11-5-12-28-57)71-35-19-33-63-73-61-31-17-15-25-53(61)45-65(77(73)82-75(63)71)49-21-7-3-8-22-49)39-37-51(55)43-67(69)68-44-52-38-40-60(42-56(52)48-70(68)79)81(58-29-13-6-14-30-58)72-36-20-34-64-74-62-32-18-16-26-54(62)46-66(78(74)83-76(64)72)50-23-9-4-10-24-50/h3-48H,1-2H3.

What are the key properties of 12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine?

12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine has a molecular weight of 1061.30 g/mol, XLogP of 22.68, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 12,12-dimethyl-7-N,17-N-diphenyl-7-N,17-N-bis(6-phenylnaphtho[2,1-b][1]benzofuran-8-yl)pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-7,17-diamine is sourced from PubChem (CID 126550533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).