5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene

C62H36N4 — CID 118603554

About 5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene

5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene (PubChem CID 118603554) has the molecular formula C62H36N4 and a molecular weight of 837.00 g/mol. Its IUPAC name is 5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene.

Molecular Properties

• Compound Name: 5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
• PubChem CID: 118603554
• Molecular Formula: C62H36N4
• Molecular Weight: 837.00 g/mol
• Exact Mass: 836.29
• IUPAC Name: 5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene
• SMILES: c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6cccc7c8cccc9c8c(cc8c9c9ccccc9n8-c8ccccc8)c(cc54)c76)nc4ccccc34)c3ccccc23)cc1
• InChI: InChI=1S/C62H36N4/c1-3-17-37(18-4-1)39-33-34-44(41-22-8-7-21-40(39)41)61-45-23-9-12-30-52(45)63-62(64-61)66-54-32-14-11-25-47(54)60-49-29-16-27-43-42-26-15-28-48-57(42)50(51(58(43)49)36-56(60)66)35-55-59(48)46-24-10-13-31-53(46)65(55)38-19-5-2-6-20-38/h1-36H
• InChIKey: BZAAWDQVUHPDQJ-UHFFFAOYSA-N
• XLogP: 16.36
• TPSA: 35.64 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	837.00
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene?

The IUPAC name of 5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene (CID 118603554) is 5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene.

What is the SMILES notation for 5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene?

The canonical SMILES for 5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene is c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5c6cccc7c8cccc9c8c(cc8c9c9ccccc9n8-c8ccccc8)c(cc54)c76)nc4ccccc34)c3ccccc23)cc1.

What is the InChIKey of 5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene?

The InChIKey is BZAAWDQVUHPDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N4/c1-3-17-37(18-4-1)39-33-34-44(41-22-8-7-21-40(39)41)61-45-23-9-12-30-52(45)63-62(64-61)66-54-32-14-11-25-47(54)60-49-29-16-27-43-42-26-15-28-48-57(42)50(51(58(43)49)36-56(60)66)35-55-59(48)46-24-10-13-31-53(46)65(55)38-19-5-2-6-20-38/h1-36H.

What are the key properties of 5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene?

5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene has a molecular weight of 837.00 g/mol, XLogP of 16.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-30-[4-(4-phenylnaphthalen-1-yl)quinazolin-2-yl]-5,30-diazanonacyclo[16.14.1.12,13.04,12.06,11.022,33.023,31.024,29.017,34]tetratriaconta-1(32),2,4(12),6,8,10,13,15,17(34),18(33),19,21,23(31),24,26,28-hexadecaene is sourced from PubChem (CID 118603554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).