10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22,22-dimethyl-N,N-diphenyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine

C58H41N5 — CID 118668023

About 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22,22-dimethyl-N,N-diphenyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22,22-dimethyl-N,N-diphenyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine (PubChem CID 118668023) has the molecular formula C58H41N5 and a molecular weight of 808.00 g/mol. Its IUPAC name is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22,22-dimethyl-N,N-diphenyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine.

Molecular Properties

• Compound Name: 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22,22-dimethyl-N,N-diphenyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine
• PubChem CID: 118668023
• Molecular Formula: C58H41N5
• Molecular Weight: 808.00 g/mol
• Exact Mass: 807.34
• IUPAC Name: 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22,22-dimethyl-N,N-diphenyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine
• SMILES: CC1(C)c2ccccc2-c2cc3cc4c(cc3cc21)c1cc(N(c2ccccc2)c2ccccc2)ccc1n4-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C58H41N5/c1-58(2)51-26-16-15-25-47(51)48-33-42-36-54-49(34-41(42)35-52(48)58)50-37-46(62(43-21-11-5-12-22-43)44-23-13-6-14-24-44)31-32-53(50)63(54)45-29-27-40(28-30-45)57-60-55(38-17-7-3-8-18-38)59-56(61-57)39-19-9-4-10-20-39/h3-37H,1-2H3
• InChIKey: MXZUWOCWYUALAA-UHFFFAOYSA-N
• XLogP: 14.90
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.00
LogP ≤ 5	14.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22,22-dimethyl-N,N-diphenyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine?

The IUPAC name of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22,22-dimethyl-N,N-diphenyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine (CID 118668023) is 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22,22-dimethyl-N,N-diphenyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine.

What is the SMILES notation for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22,22-dimethyl-N,N-diphenyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine?

The canonical SMILES for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22,22-dimethyl-N,N-diphenyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine is CC1(C)c2ccccc2-c2cc3cc4c(cc3cc21)c1cc(N(c2ccccc2)c2ccccc2)ccc1n4-c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.

What is the InChIKey of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22,22-dimethyl-N,N-diphenyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine?

The InChIKey is MXZUWOCWYUALAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H41N5/c1-58(2)51-26-16-15-25-47(51)48-33-42-36-54-49(34-41(42)35-52(48)58)50-37-46(62(43-21-11-5-12-22-43)44-23-13-6-14-24-44)31-32-53(50)63(54)45-29-27-40(28-30-45)57-60-55(38-17-7-3-8-18-38)59-56(61-57)39-19-9-4-10-20-39/h3-37H,1-2H3.

What are the key properties of 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22,22-dimethyl-N,N-diphenyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine?

10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22,22-dimethyl-N,N-diphenyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine has a molecular weight of 808.00 g/mol, XLogP of 14.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-22,22-dimethyl-N,N-diphenyl-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine is sourced from PubChem (CID 118668023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).