10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(4-phenylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(5-phenyl-3-pyridinyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(5-phenyl-3-pyridinyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene

C178H109N9 — CID 157348539

About 10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(4-phenylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(5-phenyl-3-pyridinyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(5-phenyl-3-pyridinyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene

10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(4-phenylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(5-phenyl-3-pyridinyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(5-phenyl-3-pyridinyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene (PubChem CID 157348539) has the molecular formula C178H109N9 and a molecular weight of 2373.89 g/mol. Its IUPAC name is 10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(4-phenylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(5-phenyl-3-pyridinyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(5-phenyl-3-pyridinyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene.

Molecular Properties

• Compound Name: 10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(4-phenylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(5-phenyl-3-pyridinyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(5-phenyl-3-pyridinyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
• PubChem CID: 157348539
• Molecular Formula: C178H109N9
• Molecular Weight: 2373.89 g/mol
• Exact Mass: 2371.88
• IUPAC Name: 10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(4-phenylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(5-phenyl-3-pyridinyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(5-phenyl-3-pyridinyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4cccc5cccc-6c45)cc3)n2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5c(ccc43)-c3cccc4cccc-5c34)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c43)-c3cccc4cccc-5c34)cc2)cc1.c1ccc(-c2cncc(-n3c4ccccc4c4c5c(ccc43)-c3cccc4cccc-5c34)c2)cc1.c1ccc(-c2cncc(-n3c4ccccc4c4ccc5c(c43)-c3cccc4cccc-5c34)c2)cc1
• InChI: InChI=1S/C44H27N3.2C34H21N.2C33H20N2/c1-3-11-28(12-4-1)37-27-38(29-13-5-2-6-14-29)46-44(45-37)31-21-23-32(24-22-31)47-39-20-8-7-17-35(39)43-40(47)26-25-34-33-18-9-15-30-16-10-19-36(41(30)33)42(34)43;1-2-8-22(9-3-1)23-16-18-25(19-17-23)35-30-15-5-4-12-28(30)34-31(35)21-20-27-26-13-6-10-24-11-7-14-29(32(24)26)33(27)34;1-2-8-22(9-3-1)23-16-18-25(19-17-23)35-31-15-5-4-12-26(31)29-21-20-28-27-13-6-10-24-11-7-14-30(32(24)27)33(28)34(29)35;1-2-8-21(9-3-1)23-18-24(20-34-19-23)35-29-15-5-4-12-27(29)33-30(35)17-16-26-25-13-6-10-22-11-7-14-28(31(22)25)32(26)33;1-2-8-21(9-3-1)23-18-24(20-34-19-23)35-30-15-5-4-12-25(30)28-17-16-27-26-13-6-10-22-11-7-14-29(31(22)26)32(27)33(28)35/h1-27H;2*1-21H;2*1-20H
• InChIKey: BHGJTTUCOIUILZ-UHFFFAOYSA-N
• XLogP: 47.17
• TPSA: 76.21 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2373.89
LogP ≤ 5	47.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(4-phenylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(5-phenyl-3-pyridinyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(5-phenyl-3-pyridinyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene?

The IUPAC name of 10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(4-phenylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(5-phenyl-3-pyridinyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(5-phenyl-3-pyridinyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene (CID 157348539) is 10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(4-phenylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(5-phenyl-3-pyridinyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(5-phenyl-3-pyridinyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene.

What is the SMILES notation for 10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(4-phenylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(5-phenyl-3-pyridinyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(5-phenyl-3-pyridinyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene?

The canonical SMILES for 10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(4-phenylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(5-phenyl-3-pyridinyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(5-phenyl-3-pyridinyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5c6c(ccc54)-c4cccc5cccc-6c45)cc3)n2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4c5c(ccc43)-c3cccc4cccc-5c34)cc2)cc1.c1ccc(-c2ccc(-n3c4ccccc4c4ccc5c(c43)-c3cccc4cccc-5c34)cc2)cc1.c1ccc(-c2cncc(-n3c4ccccc4c4c5c(ccc43)-c3cccc4cccc-5c34)c2)cc1.c1ccc(-c2cncc(-n3c4ccccc4c4ccc5c(c43)-c3cccc4cccc-5c34)c2)cc1.

What is the InChIKey of 10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(4-phenylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(5-phenyl-3-pyridinyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(5-phenyl-3-pyridinyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene?

The InChIKey is BHGJTTUCOIUILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H27N3.2C34H21N.2C33H20N2/c1-3-11-28(12-4-1)37-27-38(29-13-5-2-6-14-29)46-44(45-37)31-21-23-32(24-22-31)47-39-20-8-7-17-35(39)43-40(47)26-25-34-33-18-9-15-30-16-10-19-36(41(30)33)42(34)43;1-2-8-22(9-3-1)23-16-18-25(19-17-23)35-30-15-5-4-12-28(30)34-31(35)21-20-27-26-13-6-10-24-11-7-14-29(32(24)26)33(27)34;1-2-8-22(9-3-1)23-16-18-25(19-17-23)35-31-15-5-4-12-26(31)29-21-20-28-27-13-6-10-24-11-7-14-30(32(24)27)33(28)34(29)35;1-2-8-21(9-3-1)23-18-24(20-34-19-23)35-29-15-5-4-12-27(29)33-30(35)17-16-26-25-13-6-10-22-11-7-14-28(31(22)25)32(26)33;1-2-8-21(9-3-1)23-18-24(20-34-19-23)35-30-15-5-4-12-25(30)28-17-16-27-26-13-6-10-22-11-7-14-29(31(22)26)32(27)33(28)35/h1-27H;2*1-21H;2*1-20H.

What are the key properties of 10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(4-phenylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(5-phenyl-3-pyridinyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(5-phenyl-3-pyridinyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene?

10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(4-phenylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(5-phenyl-3-pyridinyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(5-phenyl-3-pyridinyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene has a molecular weight of 2373.89 g/mol, XLogP of 47.17, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(4-phenylphenyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(4-phenylphenyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene;4-(5-phenyl-3-pyridinyl)-4-azahexacyclo[13.7.1.02,14.03,11.05,10.019,23]tricosa-1(22),2(14),3(11),5,7,9,12,15,17,19(23),20-undecaene;10-(5-phenyl-3-pyridinyl)-10-azahexacyclo[13.7.1.02,14.03,11.04,9.019,23]tricosa-1(22),2(14),3(11),4,6,8,12,15,17,19(23),20-undecaene is sourced from PubChem (CID 157348539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).