9,14-bis[4-[4-(1,7-naphthyridin-5-yl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C58H36N6 — CID 130355074

About 9,14-bis[4-[4-(1,7-naphthyridin-5-yl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9,14-bis[4-[4-(1,7-naphthyridin-5-yl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 130355074) has the molecular formula C58H36N6 and a molecular weight of 816.97 g/mol. Its IUPAC name is 9,14-bis[4-[4-(1,7-naphthyridin-5-yl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 9,14-bis[4-[4-(1,7-naphthyridin-5-yl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 130355074
• Molecular Formula: C58H36N6
• Molecular Weight: 816.97 g/mol
• Exact Mass: 816.30
• IUPAC Name: 9,14-bis[4-[4-(1,7-naphthyridin-5-yl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: c1cnc2cncc(-c3ccc(-c4ccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccc(-c9ccc(-c%10cncc%11ncccc%10%11)cc9)cc8)c7ccc65)cc4)cc3)c2c1
• InChI: InChI=1S/C58H36N6/c1-3-11-53-47(7-1)57-55(63(53)43-25-21-39(22-26-43)37-13-17-41(18-14-37)49-33-59-35-51-45(49)9-5-31-61-51)29-30-56-58(57)48-8-2-4-12-54(48)64(56)44-27-23-40(24-28-44)38-15-19-42(20-16-38)50-34-60-36-52-46(50)10-6-32-62-52/h1-36H
• InChIKey: AUMWKWPQDXWVPN-UHFFFAOYSA-N
• XLogP: 14.44
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.97
LogP ≤ 5	14.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9,14-bis[4-[4-(1,7-naphthyridin-5-yl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 9,14-bis[4-[4-(1,7-naphthyridin-5-yl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 130355074) is 9,14-bis[4-[4-(1,7-naphthyridin-5-yl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 9,14-bis[4-[4-(1,7-naphthyridin-5-yl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 9,14-bis[4-[4-(1,7-naphthyridin-5-yl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is c1cnc2cncc(-c3ccc(-c4ccc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccc(-c9ccc(-c%10cncc%11ncccc%10%11)cc9)cc8)c7ccc65)cc4)cc3)c2c1.

What is the InChIKey of 9,14-bis[4-[4-(1,7-naphthyridin-5-yl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is AUMWKWPQDXWVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36N6/c1-3-11-53-47(7-1)57-55(63(53)43-25-21-39(22-26-43)37-13-17-41(18-14-37)49-33-59-35-51-45(49)9-5-31-61-51)29-30-56-58(57)48-8-2-4-12-54(48)64(56)44-27-23-40(24-28-44)38-15-19-42(20-16-38)50-34-60-36-52-46(50)10-6-32-62-52/h1-36H.

What are the key properties of 9,14-bis[4-[4-(1,7-naphthyridin-5-yl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

9,14-bis[4-[4-(1,7-naphthyridin-5-yl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 816.97 g/mol, XLogP of 14.44, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9,14-bis[4-[4-(1,7-naphthyridin-5-yl)phenyl]phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 130355074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).