7-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene

C56H34N4 — CID 142324512

About 7-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene

7-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene (PubChem CID 142324512) has the molecular formula C56H34N4 and a molecular weight of 762.92 g/mol. Its IUPAC name is 7-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene.

Molecular Properties

• Compound Name: 7-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene
• PubChem CID: 142324512
• Molecular Formula: C56H34N4
• Molecular Weight: 762.92 g/mol
• Exact Mass: 762.28
• IUPAC Name: 7-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene
• SMILES: c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6c7ccc8c(c7ccc65)c5cccc6c7ccccc7n8c65)c4)n3)c2)cc1
• InChI: InChI=1S/C56H34N4/c1-3-14-35(15-4-1)37-18-11-19-38(32-37)48-34-47(36-16-5-2-6-17-36)57-56(58-48)39-20-12-21-40(33-39)59-50-27-10-8-23-45(50)53-42-29-31-52-54(43(42)28-30-51(53)59)46-25-13-24-44-41-22-7-9-26-49(41)60(52)55(44)46/h1-34H
• InChIKey: QVSPIXXVMAGSML-UHFFFAOYSA-N
• XLogP: 14.55
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	762.92
LogP ≤ 5	14.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene?

The IUPAC name of 7-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene (CID 142324512) is 7-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene.

What is the SMILES notation for 7-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene?

The canonical SMILES for 7-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene is c1ccc(-c2cccc(-c3cc(-c4ccccc4)nc(-c4cccc(-n5c6ccccc6c6c7ccc8c(c7ccc65)c5cccc6c7ccccc7n8c65)c4)n3)c2)cc1.

What is the InChIKey of 7-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene?

The InChIKey is QVSPIXXVMAGSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4/c1-3-14-35(15-4-1)37-18-11-19-38(32-37)48-34-47(36-16-5-2-6-17-36)57-56(58-48)39-20-12-21-40(33-39)59-50-27-10-8-23-45(50)53-42-29-31-52-54(43(42)28-30-51(53)59)46-25-13-24-44-41-22-7-9-26-49(41)60(52)55(44)46/h1-34H.

What are the key properties of 7-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene?

7-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene has a molecular weight of 762.92 g/mol, XLogP of 14.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[3-[4-phenyl-6-(3-phenylphenyl)pyrimidin-2-yl]phenyl]-7,19-diazaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.020,25.026,30]triaconta-1(29),2(18),3(15),4,6(14),8,10,12,16,20,22,24,26(30),27-tetradecaene is sourced from PubChem (CID 142324512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).