4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene

C56H34N4 — CID 130258354

About 4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene

4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene (PubChem CID 130258354) has the molecular formula C56H34N4 and a molecular weight of 762.92 g/mol. Its IUPAC name is 4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene.

Molecular Properties

• Compound Name: 4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene
• PubChem CID: 130258354
• Molecular Formula: C56H34N4
• Molecular Weight: 762.92 g/mol
• Exact Mass: 762.28
• IUPAC Name: 4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene
• SMILES: c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccccc6)cc5c5c6c7ccccc7n7c8ccc(-c9ccccc9)cc8c(cc54)c67)c4ccccc4n3)cc2)cc1
• InChI: InChI=1S/C56H34N4/c1-4-14-35(15-5-1)38-24-26-39(27-25-38)55-57-47-22-12-10-20-42(47)56(58-55)60-50-31-29-41(37-18-8-3-9-19-37)33-46(50)52-51(60)34-45-44-32-40(36-16-6-2-7-17-36)28-30-49(44)59-48-23-13-11-21-43(48)53(52)54(45)59/h1-34H
• InChIKey: JMERBDJWBLEQKN-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 4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene?

The IUPAC name of 4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene (CID 130258354) is 4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene.

What is the SMILES notation for 4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene?

The canonical SMILES for 4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene is c1ccc(-c2ccc(-c3nc(-n4c5ccc(-c6ccccc6)cc5c5c6c7ccccc7n7c8ccc(-c9ccccc9)cc8c(cc54)c67)c4ccccc4n3)cc2)cc1.

What is the InChIKey of 4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene?

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

What are the key properties of 4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene?

4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene 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 4,19-diphenyl-23-[2-(4-phenylphenyl)quinazolin-4-yl]-8,23-diazaheptacyclo[13.10.1.02,7.08,26.09,14.016,24.017,22]hexacosa-1(25),2(7),3,5,9,11,13,15(26),16(24),17(22),18,20-dodecaene is sourced from PubChem (CID 130258354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).