N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine

C64H47N — CID 130290160

About N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine

N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine (PubChem CID 130290160) has the molecular formula C64H47N and a molecular weight of 830.09 g/mol. Its IUPAC name is N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine.

Molecular Properties

• Compound Name: N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
• PubChem CID: 130290160
• Molecular Formula: C64H47N
• Molecular Weight: 830.09 g/mol
• Exact Mass: 829.37
• IUPAC Name: N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine
• SMILES: CC1(C)c2cc3ccccc3cc2-c2cc3ccc(N(c4ccc5cc6c(cc5c4)C(C)(C)c4cc5ccccc5cc4-6)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3cc21
• InChI: InChI=1S/C64H47N/c1-63(2)58-36-45-18-10-8-16-43(45)32-54(58)56-34-47-26-28-51(30-49(47)38-60(56)63)65(62-21-13-12-20-53(62)42-24-22-41(23-25-42)40-14-6-5-7-15-40)52-29-27-48-35-57-55-33-44-17-9-11-19-46(44)37-59(55)64(3,4)61(57)39-50(48)31-52/h5-39H,1-4H3
• InChIKey: IZQUJMCINOISTI-UHFFFAOYSA-N
• XLogP: 17.72
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	830.09
LogP ≤ 5	17.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine?

The IUPAC name of N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine (CID 130290160) is N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine.

What is the SMILES notation for N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine?

The canonical SMILES for N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine is CC1(C)c2cc3ccccc3cc2-c2cc3ccc(N(c4ccc5cc6c(cc5c4)C(C)(C)c4cc5ccccc5cc4-6)c4ccccc4-c4ccc(-c5ccccc5)cc4)cc3cc21.

What is the InChIKey of N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine?

The InChIKey is IZQUJMCINOISTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H47N/c1-63(2)58-36-45-18-10-8-16-43(45)32-54(58)56-34-47-26-28-51(30-49(47)38-60(56)63)65(62-21-13-12-20-53(62)42-24-22-41(23-25-42)40-14-6-5-7-15-40)52-29-27-48-35-57-55-33-44-17-9-11-19-46(44)37-59(55)64(3,4)61(57)39-50(48)31-52/h5-39H,1-4H3.

What are the key properties of N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine?

N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine has a molecular weight of 830.09 g/mol, XLogP of 17.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-(12,12-dimethyl-7-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl)-12,12-dimethyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaen-7-amine is sourced from PubChem (CID 130290160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).