15-phenyl-24-[4-(4-phenyl-1,2,3,10b-tetrahydrobenzo[h]quinazolin-2-yl)phenyl]-4-oxa-15,24-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

C54H36N4O — CID 126679242

About 15-phenyl-24-[4-(4-phenyl-1,2,3,10b-tetrahydrobenzo[h]quinazolin-2-yl)phenyl]-4-oxa-15,24-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-phenyl-24-[4-(4-phenyl-1,2,3,10b-tetrahydrobenzo[h]quinazolin-2-yl)phenyl]-4-oxa-15,24-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 126679242) has the molecular formula C54H36N4O and a molecular weight of 756.91 g/mol. Its IUPAC name is 15-phenyl-24-[4-(4-phenyl-1,2,3,10b-tetrahydrobenzo[h]quinazolin-2-yl)phenyl]-4-oxa-15,24-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-phenyl-24-[4-(4-phenyl-1,2,3,10b-tetrahydrobenzo[h]quinazolin-2-yl)phenyl]-4-oxa-15,24-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: 126679242
• Molecular Formula: C54H36N4O
• Molecular Weight: 756.91 g/mol
• Exact Mass: 756.29
• IUPAC Name: 15-phenyl-24-[4-(4-phenyl-1,2,3,10b-tetrahydrobenzo[h]quinazolin-2-yl)phenyl]-4-oxa-15,24-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=Cc2ccccc2C2NC(c3ccc(-n4c5ccccc5c5c4ccc4c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c45)cc3)NC(c3ccccc3)=C12
• InChI: InChI=1S/C54H36N4O/c1-3-14-34(15-4-1)50-43-28-25-33-13-7-8-18-38(33)51(43)56-54(55-50)35-23-26-37(27-24-35)57-44-21-11-9-20-41(44)48-45(57)32-30-42-49-46(58(52(42)48)36-16-5-2-6-17-36)31-29-40-39-19-10-12-22-47(39)59-53(40)49/h1-32,51,54-56H
• InChIKey: SBDILRPOIPQHPI-UHFFFAOYSA-N
• XLogP: 13.15
• TPSA: 47.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.91
LogP ≤ 5	13.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 15-phenyl-24-[4-(4-phenyl-1,2,3,10b-tetrahydrobenzo[h]quinazolin-2-yl)phenyl]-4-oxa-15,24-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-phenyl-24-[4-(4-phenyl-1,2,3,10b-tetrahydrobenzo[h]quinazolin-2-yl)phenyl]-4-oxa-15,24-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 126679242) is 15-phenyl-24-[4-(4-phenyl-1,2,3,10b-tetrahydrobenzo[h]quinazolin-2-yl)phenyl]-4-oxa-15,24-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-phenyl-24-[4-(4-phenyl-1,2,3,10b-tetrahydrobenzo[h]quinazolin-2-yl)phenyl]-4-oxa-15,24-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-phenyl-24-[4-(4-phenyl-1,2,3,10b-tetrahydrobenzo[h]quinazolin-2-yl)phenyl]-4-oxa-15,24-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=Cc2ccccc2C2NC(c3ccc(-n4c5ccccc5c5c4ccc4c6c7oc8ccccc8c7ccc6n(-c6ccccc6)c45)cc3)NC(c3ccccc3)=C12.

What is the InChIKey of 15-phenyl-24-[4-(4-phenyl-1,2,3,10b-tetrahydrobenzo[h]quinazolin-2-yl)phenyl]-4-oxa-15,24-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 SBDILRPOIPQHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4O/c1-3-14-34(15-4-1)50-43-28-25-33-13-7-8-18-38(33)51(43)56-54(55-50)35-23-26-37(27-24-35)57-44-21-11-9-20-41(44)48-45(57)32-30-42-49-46(58(52(42)48)36-16-5-2-6-17-36)31-29-40-39-19-10-12-22-47(39)59-53(40)49/h1-32,51,54-56H.

What are the key properties of 15-phenyl-24-[4-(4-phenyl-1,2,3,10b-tetrahydrobenzo[h]quinazolin-2-yl)phenyl]-4-oxa-15,24-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-phenyl-24-[4-(4-phenyl-1,2,3,10b-tetrahydrobenzo[h]quinazolin-2-yl)phenyl]-4-oxa-15,24-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 756.91 g/mol, XLogP of 13.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-phenyl-24-[4-(4-phenyl-1,2,3,10b-tetrahydrobenzo[h]quinazolin-2-yl)phenyl]-4-oxa-15,24-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 126679242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).