9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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

C52H33N3 — CID 134168683

About 9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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 134168683) has the molecular formula C52H33N3 and a molecular weight of 699.86 g/mol. Its IUPAC name is 9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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: 134168683
• Molecular Formula: C52H33N3
• Molecular Weight: 699.86 g/mol
• Exact Mass: 699.27
• IUPAC Name: 9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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: c1ccc(-n2c3ccccc3c3ccc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8n(-c8cccc9ccccc89)c7ccc65)c4)cc32)cc1
• InChI: InChI=1S/C52H33N3/c1-2-17-37(18-3-1)53-45-24-9-6-21-40(45)41-29-28-36(33-50(41)53)35-16-12-19-38(32-35)54-46-25-10-7-22-42(46)51-48(54)30-31-49-52(51)43-23-8-11-26-47(43)55(49)44-27-13-15-34-14-4-5-20-39(34)44/h1-33H
• InChIKey: SRMPGEFCVZHLPH-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 14.79 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.86
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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 134168683) is 9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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 c1ccc(-n2c3ccccc3c3ccc(-c4cccc(-n5c6ccccc6c6c7c8ccccc8n(-c8cccc9ccccc89)c7ccc65)c4)cc32)cc1.

What is the InChIKey of 9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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 SRMPGEFCVZHLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3/c1-2-17-37(18-3-1)53-45-24-9-6-21-40(45)41-29-28-36(33-50(41)53)35-16-12-19-38(32-35)54-46-25-10-7-22-42(46)51-48(54)30-31-49-52(51)43-23-8-11-26-47(43)55(49)44-27-13-15-34-14-4-5-20-39(34)44/h1-33H.

What are the key properties of 9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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 699.86 g/mol, XLogP of 13.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 9-naphthalen-1-yl-14-[3-(9-phenylcarbazol-2-yl)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 134168683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).