N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine

C70H47N5O — CID 146481926

About N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine

N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine (PubChem CID 146481926) has the molecular formula C70H47N5O and a molecular weight of 974.18 g/mol. Its IUPAC name is N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine.

Molecular Properties

• Compound Name: N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine
• PubChem CID: 146481926
• Molecular Formula: C70H47N5O
• Molecular Weight: 974.18 g/mol
• Exact Mass: 973.38
• IUPAC Name: N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine
• SMILES: CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)cc1c32
• InChI: InChI=1S/C70H47N5O/c1-70(2)57-41-49(48-27-18-28-50(40-48)69-72-67(46-23-8-4-9-24-46)71-68(73-69)47-25-10-5-11-26-47)37-38-60(57)75-61-39-36-45-22-12-13-30-53(45)64(61)56-42-51(43-58(70)65(56)75)74(59-33-16-14-29-52(59)44-20-6-3-7-21-44)62-34-19-32-55-54-31-15-17-35-63(54)76-66(55)62/h3-43H,1-2H3
• InChIKey: ZKCMKCZGBWVADQ-UHFFFAOYSA-N
• XLogP: 18.47
• TPSA: 59.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	974.18
LogP ≤ 5	18.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?

The IUPAC name of N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine (CID 146481926) is N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine.

What is the SMILES notation for N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?

The canonical SMILES for N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine is CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3)ccc2-n2c3ccc4ccccc4c3c3cc(N(c4ccccc4-c4ccccc4)c4cccc5c4oc4ccccc45)cc1c32.

What is the InChIKey of N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?

The InChIKey is ZKCMKCZGBWVADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H47N5O/c1-70(2)57-41-49(48-27-18-28-50(40-48)69-72-67(46-23-8-4-9-24-46)71-68(73-69)47-25-10-5-11-26-47)37-38-60(57)75-61-39-36-45-22-12-13-30-53(45)64(61)56-42-51(43-58(70)65(56)75)74(59-33-16-14-29-52(59)44-20-6-3-7-21-44)62-34-19-32-55-54-31-15-17-35-63(54)76-66(55)62/h3-43H,1-2H3.

What are the key properties of N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine?

N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine has a molecular weight of 974.18 g/mol, XLogP of 18.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-dibenzofuran-4-yl-5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-8,8-dimethyl-N-(2-phenylphenyl)-1-azahexacyclo[11.10.1.02,7.09,24.014,23.015,20]tetracosa-2(7),3,5,9,11,13(24),14(23),15,17,19,21-undecaen-11-amine is sourced from PubChem (CID 146481926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).