5-[4-(14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

C63H43N7 — CID 90291019

About 5-[4-(14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene

5-[4-(14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (PubChem CID 90291019) has the molecular formula C63H43N7 and a molecular weight of 898.09 g/mol. Its IUPAC name is 5-[4-(14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

Molecular Properties

• Compound Name: 5-[4-(14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• PubChem CID: 90291019
• Molecular Formula: C63H43N7
• Molecular Weight: 898.09 g/mol
• Exact Mass: 897.36
• IUPAC Name: 5-[4-(14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
• SMILES: CC1(C)c2cccc3c2-n2c4c(cc(-c5nc(-c6ccccc6)nc(-c6cc7c8c(c6)c6cccc9c6n8-c6c(cccc6C9(C)C)N7c6ccccc6)n5)cc4c4cccc1c42)N3c1ccccc1
• InChI: InChI=1S/C63H43N7/c1-62(2)45-26-14-24-41-43-32-37(34-51-55(43)69(53(41)45)57-47(62)28-16-30-49(57)67(51)39-20-10-6-11-21-39)60-64-59(36-18-8-5-9-19-36)65-61(66-60)38-33-44-42-25-15-27-46-54(42)70-56(44)52(35-38)68(40-22-12-7-13-23-40)50-31-17-29-48(58(50)70)63(46,3)4/h5-35H,1-4H3
• InChIKey: XDBRHBBICRSACL-UHFFFAOYSA-N
• XLogP: 15.91
• TPSA: 55.01 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	898.09
LogP ≤ 5	15.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[4-(14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The IUPAC name of 5-[4-(14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene (CID 90291019) is 5-[4-(14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene.

What is the SMILES notation for 5-[4-(14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The canonical SMILES for 5-[4-(14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is CC1(C)c2cccc3c2-n2c4c(cc(-c5nc(-c6ccccc6)nc(-c6cc7c8c(c6)c6cccc9c6n8-c6c(cccc6C9(C)C)N7c6ccccc6)n5)cc4c4cccc1c42)N3c1ccccc1.

What is the InChIKey of 5-[4-(14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

The InChIKey is XDBRHBBICRSACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H43N7/c1-62(2)45-26-14-24-41-43-32-37(34-51-55(43)69(53(41)45)57-47(62)28-16-30-49(57)67(51)39-20-10-6-11-21-39)60-64-59(36-18-8-5-9-19-36)65-61(66-60)38-33-44-42-25-15-27-46-54(42)70-56(44)52(35-38)68(40-22-12-7-13-23-40)50-31-17-29-48(58(50)70)63(46,3)4/h5-35H,1-4H3.

What are the key properties of 5-[4-(14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene?

5-[4-(14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene has a molecular weight of 898.09 g/mol, XLogP of 15.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-5-yl)-6-phenyl-1,3,5-triazin-2-yl]-14,14-dimethyl-8-phenyl-1,8-diazahexacyclo[11.7.1.02,7.03,19.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene is sourced from PubChem (CID 90291019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).