15-(1,2-dihydronaphthalen-2-yl)-4-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

C54H34N4O — CID 126679092

About 15-(1,2-dihydronaphthalen-2-yl)-4-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene

15-(1,2-dihydronaphthalen-2-yl)-4-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (PubChem CID 126679092) has the molecular formula C54H34N4O and a molecular weight of 754.89 g/mol. Its IUPAC name is 15-(1,2-dihydronaphthalen-2-yl)-4-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 15-(1,2-dihydronaphthalen-2-yl)-4-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
• PubChem CID: 126679092
• Molecular Formula: C54H34N4O
• Molecular Weight: 754.89 g/mol
• Exact Mass: 754.27
• IUPAC Name: 15-(1,2-dihydronaphthalen-2-yl)-4-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene
• SMILES: C1=CC(n2c3ccc4c5ccccc5n(-c5nc(-c6ccc(-c7ccccc7)cc6)c6ccccc6n5)c4c3c3ccc4oc5ccccc5c4c32)Cc2ccccc21
• InChI: InChI=1S/C54H34N4O/c1-2-12-33(13-3-1)35-22-24-36(25-23-35)51-41-17-6-9-19-44(41)55-54(56-51)58-45-20-10-7-16-39(45)40-28-30-46-49(52(40)58)43-29-31-48-50(42-18-8-11-21-47(42)59-48)53(43)57(46)38-27-26-34-14-4-5-15-37(34)32-38/h1-31,38H,32H2
• InChIKey: WYLTZPVPRZIRPW-UHFFFAOYSA-N
• XLogP: 13.88
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	754.89
LogP ≤ 5	13.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 15-(1,2-dihydronaphthalen-2-yl)-4-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The IUPAC name of 15-(1,2-dihydronaphthalen-2-yl)-4-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene (CID 126679092) is 15-(1,2-dihydronaphthalen-2-yl)-4-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 15-(1,2-dihydronaphthalen-2-yl)-4-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 15-(1,2-dihydronaphthalen-2-yl)-4-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is C1=CC(n2c3ccc4c5ccccc5n(-c5nc(-c6ccc(-c7ccccc7)cc6)c6ccccc6n5)c4c3c3ccc4oc5ccccc5c4c32)Cc2ccccc21.

What is the InChIKey of 15-(1,2-dihydronaphthalen-2-yl)-4-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

The InChIKey is WYLTZPVPRZIRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4O/c1-2-12-33(13-3-1)35-22-24-36(25-23-35)51-41-17-6-9-19-44(41)55-54(56-51)58-45-20-10-7-16-39(45)40-28-30-46-49(52(40)58)43-29-31-48-50(42-18-8-11-21-47(42)59-48)53(43)57(46)38-27-26-34-14-4-5-15-37(34)32-38/h1-31,38H,32H2.

What are the key properties of 15-(1,2-dihydronaphthalen-2-yl)-4-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene?

15-(1,2-dihydronaphthalen-2-yl)-4-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene has a molecular weight of 754.89 g/mol, XLogP of 13.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-(1,2-dihydronaphthalen-2-yl)-4-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-4,15-diazaheptacyclo[14.11.0.02,14.03,11.05,10.017,25.018,23]heptacosa-1(16),2(14),3(11),5,7,9,12,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 126679092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).