8-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-22-(3-quinolin-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

C155H101N15 — CID 160645500

About 8-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-22-(3-quinolin-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene

8-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-22-(3-quinolin-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (PubChem CID 160645500) has the molecular formula C155H101N15 and a molecular weight of 2173.62 g/mol. Its IUPAC name is 8-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-22-(3-quinolin-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

Molecular Properties

• Compound Name: 8-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-22-(3-quinolin-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• PubChem CID: 160645500
• Molecular Formula: C155H101N15
• Molecular Weight: 2173.62 g/mol
• Exact Mass: 2171.84
• IUPAC Name: 8-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-22-(3-quinolin-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(N5c6ccccc6-c6c(n(-c7cccc(-c8ccc9ccccc9n8)c7)c7ccccc67)-c6ccccc65)cc4)cc3)n2)cc1.c1ccc(-c2cccc(-n3c4c(c5ccccc53)-c3ccccc3N(c3nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n3)c3ccccc3-4)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-c4c(n(-c5ccccc5)c5ccccc45)-c4ccccc43)n2)cc1
• InChI: InChI=1S/C63H41N5.C51H33N5.C41H27N5/c1-3-16-44(17-4-1)56-41-57(45-18-5-2-6-19-45)66-63(65-56)47-32-30-42(31-33-47)43-34-37-49(38-35-43)67-58-27-12-8-23-51(58)61-52-24-9-13-28-59(52)68(62(61)53-25-10-14-29-60(53)67)50-22-15-21-48(40-50)55-39-36-46-20-7-11-26-54(46)64-55;1-3-16-34(17-4-1)38-22-15-23-40(33-38)55-44-27-12-9-24-41(44)47-42-25-10-13-28-45(42)56(46-29-14-11-26-43(46)48(47)55)51-53-49(36-19-5-2-6-20-36)52-50(54-51)39-31-30-35-18-7-8-21-37(35)32-39;1-4-16-28(17-5-1)39-42-40(29-18-6-2-7-19-29)44-41(43-39)46-35-26-14-11-23-32(35)37-31-22-10-13-25-34(31)45(30-20-8-3-9-21-30)38(37)33-24-12-15-27-36(33)46/h1-41H;1-33H;1-27H
• InChIKey: RJSRLAOOWZJCHZ-UHFFFAOYSA-N
• XLogP: 39.77
• TPSA: 140.52 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2173.62
LogP ≤ 5	39.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-22-(3-quinolin-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The IUPAC name of 8-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-22-(3-quinolin-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene (CID 160645500) is 8-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-22-(3-quinolin-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene.

What is the SMILES notation for 8-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-22-(3-quinolin-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The canonical SMILES for 8-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-22-(3-quinolin-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4ccc(N5c6ccccc6-c6c(n(-c7cccc(-c8ccc9ccccc9n8)c7)c7ccccc67)-c6ccccc65)cc4)cc3)n2)cc1.c1ccc(-c2cccc(-n3c4c(c5ccccc53)-c3ccccc3N(c3nc(-c5ccccc5)nc(-c5ccc6ccccc6c5)n3)c3ccccc3-4)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(N3c4ccccc4-c4c(n(-c5ccccc5)c5ccccc45)-c4ccccc43)n2)cc1.

What is the InChIKey of 8-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-22-(3-quinolin-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

The InChIKey is RJSRLAOOWZJCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41N5.C51H33N5.C41H27N5/c1-3-16-44(17-4-1)56-41-57(45-18-5-2-6-19-45)66-63(65-56)47-32-30-42(31-33-47)43-34-37-49(38-35-43)67-58-27-12-8-23-51(58)61-52-24-9-13-28-59(52)68(62(61)53-25-10-14-29-60(53)67)50-22-15-21-48(40-50)55-39-36-46-20-7-11-26-54(46)64-55;1-3-16-34(17-4-1)38-22-15-23-40(33-38)55-44-27-12-9-24-41(44)47-42-25-10-13-28-45(42)56(46-29-14-11-26-43(46)48(47)55)51-53-49(36-19-5-2-6-20-36)52-50(54-51)39-31-30-35-18-7-8-21-37(35)32-39;1-4-16-28(17-5-1)39-42-40(29-18-6-2-7-19-29)44-41(43-39)46-35-26-14-11-23-32(35)37-31-22-10-13-25-34(31)45(30-20-8-3-9-21-30)38(37)33-24-12-15-27-36(33)46/h1-41H;1-33H;1-27H.

What are the key properties of 8-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-22-(3-quinolin-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene?

8-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-22-(3-quinolin-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene has a molecular weight of 2173.62 g/mol, XLogP of 39.77, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-22-(3-quinolin-2-ylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-22-phenyl-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene;8-(4-naphthalen-2-yl-6-phenyl-1,3,5-triazin-2-yl)-22-(3-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),2,4,6,9,11,13,16,18,20-decaene is sourced from PubChem (CID 160645500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).