14-[4-phenyl-7-(4-phenylphenyl)quinazolin-2-yl]-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.05,10.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene

C54H32N4 — CID 163739148

About 14-[4-phenyl-7-(4-phenylphenyl)quinazolin-2-yl]-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.05,10.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene

14-[4-phenyl-7-(4-phenylphenyl)quinazolin-2-yl]-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.05,10.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene (PubChem CID 163739148) has the molecular formula C54H32N4 and a molecular weight of 736.88 g/mol. Its IUPAC name is 14-[4-phenyl-7-(4-phenylphenyl)quinazolin-2-yl]-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.05,10.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene.

Molecular Properties

• Compound Name: 14-[4-phenyl-7-(4-phenylphenyl)quinazolin-2-yl]-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.05,10.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene
• PubChem CID: 163739148
• Molecular Formula: C54H32N4
• Molecular Weight: 736.88 g/mol
• Exact Mass: 736.26
• IUPAC Name: 14-[4-phenyl-7-(4-phenylphenyl)quinazolin-2-yl]-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.05,10.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene
• SMILES: c1ccc(-c2ccc(-c3ccc4c(-c5ccccc5)nc(-n5c6ccc7ccccc7c6c6c7c8cccc9c%10ccccc%10n(c7ccc65)c98)nc4c3)cc2)cc1
• InChI: InChI=1S/C54H32N4/c1-3-12-33(13-4-1)34-22-24-35(25-23-34)38-26-28-42-44(32-38)55-54(56-52(42)37-15-5-2-6-16-37)58-47-29-27-36-14-7-8-17-39(36)49(47)51-48(58)31-30-46-50(51)43-20-11-19-41-40-18-9-10-21-45(40)57(46)53(41)43/h1-32H
• InChIKey: LGGISOMOKCPQIG-UHFFFAOYSA-N
• XLogP: 14.03
• TPSA: 35.12 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.88
LogP ≤ 5	14.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 14-[4-phenyl-7-(4-phenylphenyl)quinazolin-2-yl]-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.05,10.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene?

The IUPAC name of 14-[4-phenyl-7-(4-phenylphenyl)quinazolin-2-yl]-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.05,10.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene (CID 163739148) is 14-[4-phenyl-7-(4-phenylphenyl)quinazolin-2-yl]-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.05,10.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene.

What is the SMILES notation for 14-[4-phenyl-7-(4-phenylphenyl)quinazolin-2-yl]-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.05,10.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene?

The canonical SMILES for 14-[4-phenyl-7-(4-phenylphenyl)quinazolin-2-yl]-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.05,10.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene is c1ccc(-c2ccc(-c3ccc4c(-c5ccccc5)nc(-n5c6ccc7ccccc7c6c6c7c8cccc9c%10ccccc%10n(c7ccc65)c98)nc4c3)cc2)cc1.

What is the InChIKey of 14-[4-phenyl-7-(4-phenylphenyl)quinazolin-2-yl]-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.05,10.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene?

The InChIKey is LGGISOMOKCPQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4/c1-3-12-33(13-4-1)34-22-24-35(25-23-34)38-26-28-42-44(32-38)55-54(56-52(42)37-15-5-2-6-16-37)58-47-29-27-36-14-7-8-17-39(36)49(47)51-48(58)31-30-46-50(51)43-20-11-19-41-40-18-9-10-21-45(40)57(46)53(41)43/h1-32H.

What are the key properties of 14-[4-phenyl-7-(4-phenylphenyl)quinazolin-2-yl]-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.05,10.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene?

14-[4-phenyl-7-(4-phenylphenyl)quinazolin-2-yl]-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.05,10.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene has a molecular weight of 736.88 g/mol, XLogP of 14.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[4-phenyl-7-(4-phenylphenyl)quinazolin-2-yl]-14,19-diazaoctacyclo[17.10.1.02,18.03,15.04,13.05,10.020,25.026,30]triaconta-1(29),2(18),3(15),4(13),5,7,9,11,16,20,22,24,26(30),27-tetradecaene is sourced from PubChem (CID 163739148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).