N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine

C70H43N5 — CID 163867138

About N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine

N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine (PubChem CID 163867138) has the molecular formula C70H43N5 and a molecular weight of 954.15 g/mol. Its IUPAC name is N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine.

Molecular Properties

• Compound Name: N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
• PubChem CID: 163867138
• Molecular Formula: C70H43N5
• Molecular Weight: 954.15 g/mol
• Exact Mass: 953.35
• IUPAC Name: N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine
• SMILES: c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(N(c5cc6c7ccccc7n7c8ccccc8c(c5)c67)c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc4)n3)cc2)cc1
• InChI: InChI=1S/C70H43N5/c1-3-15-44(16-4-1)46-27-31-48(32-28-46)62-43-63(49-33-29-47(30-34-49)45-17-5-2-6-18-45)72-70(71-62)50-35-37-51(38-36-50)73(52-39-58-54-19-7-11-23-64(54)74-65-24-12-8-20-55(65)59(40-52)68(58)74)53-41-60-56-21-9-13-25-66(56)75-67-26-14-10-22-57(67)61(42-53)69(60)75/h1-43H
• InChIKey: PHPSNIHNCVNDDS-UHFFFAOYSA-N
• XLogP: 18.58
• TPSA: 37.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	954.15
LogP ≤ 5	18.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine?

The IUPAC name of N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine (CID 163867138) is N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine.

What is the SMILES notation for N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine?

The canonical SMILES for N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(N(c5cc6c7ccccc7n7c8ccccc8c(c5)c67)c5cc6c7ccccc7n7c8ccccc8c(c5)c67)cc4)n3)cc2)cc1.

What is the InChIKey of N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine?

The InChIKey is PHPSNIHNCVNDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43N5/c1-3-15-44(16-4-1)46-27-31-48(32-28-46)62-43-63(49-33-29-47(30-34-49)45-17-5-2-6-18-45)72-70(71-62)50-35-37-51(38-36-50)73(52-39-58-54-19-7-11-23-64(54)74-65-24-12-8-20-55(65)59(40-52)68(58)74)53-41-60-56-21-9-13-25-66(56)75-67-26-14-10-22-57(67)61(42-53)69(60)75/h1-43H.

What are the key properties of N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine?

N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine has a molecular weight of 954.15 g/mol, XLogP of 18.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-N-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-amine is sourced from PubChem (CID 163867138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).