12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene

C50H30N4O — CID 126679655

About 12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene

12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene (PubChem CID 126679655) has the molecular formula C50H30N4O and a molecular weight of 702.82 g/mol. Its IUPAC name is 12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene.

Molecular Properties

• Compound Name: 12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
• PubChem CID: 126679655
• Molecular Formula: C50H30N4O
• Molecular Weight: 702.82 g/mol
• Exact Mass: 702.24
• IUPAC Name: 12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene
• SMILES: c1ccc(-c2ccc(-c3nc(-n4c5c(ccc6oc7ccccc7c65)c5ccc6c7ccccc7n(-c7ccccc7)c6c54)nc4ccccc34)cc2)cc1
• InChI: InChI=1S/C50H30N4O/c1-3-13-31(14-4-1)32-23-25-33(26-24-32)46-39-18-7-10-20-41(39)51-50(52-46)54-47-37(29-30-44-45(47)40-19-9-12-22-43(40)55-44)38-28-27-36-35-17-8-11-21-42(35)53(48(36)49(38)54)34-15-5-2-6-16-34/h1-30H
• InChIKey: QXHZRFJIDCVPKH-UHFFFAOYSA-N
• XLogP: 13.06
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.82
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene?

The IUPAC name of 12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene (CID 126679655) is 12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene.

What is the SMILES notation for 12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene?

The canonical SMILES for 12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene is c1ccc(-c2ccc(-c3nc(-n4c5c(ccc6oc7ccccc7c65)c5ccc6c7ccccc7n(-c7ccccc7)c6c54)nc4ccccc34)cc2)cc1.

What is the InChIKey of 12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene?

The InChIKey is QXHZRFJIDCVPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4O/c1-3-13-31(14-4-1)32-23-25-33(26-24-32)46-39-18-7-10-20-41(39)51-50(52-46)54-47-37(29-30-44-45(47)40-19-9-12-22-43(40)55-44)38-28-27-36-35-17-8-11-21-42(35)53(48(36)49(38)54)34-15-5-2-6-16-34/h1-30H.

What are the key properties of 12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene?

12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene has a molecular weight of 702.82 g/mol, XLogP of 13.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 12-phenyl-15-[4-(4-phenylphenyl)quinazolin-2-yl]-24-oxa-12,15-diazaheptacyclo[14.11.0.02,14.05,13.06,11.017,25.018,23]heptacosa-1(16),2(14),3,5(13),6,8,10,17(25),18,20,22,26-dodecaene is sourced from PubChem (CID 126679655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).