26-(3-naphthalen-2-ylbenzo[f]quinolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

C47H27N3 — CID 166496726

About 26-(3-naphthalen-2-ylbenzo[f]quinolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene

26-(3-naphthalen-2-ylbenzo[f]quinolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (PubChem CID 166496726) has the molecular formula C47H27N3 and a molecular weight of 633.75 g/mol. Its IUPAC name is 26-(3-naphthalen-2-ylbenzo[f]quinolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.

Molecular Properties

• Compound Name: 26-(3-naphthalen-2-ylbenzo[f]quinolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
• PubChem CID: 166496726
• Molecular Formula: C47H27N3
• Molecular Weight: 633.75 g/mol
• Exact Mass: 633.22
• IUPAC Name: 26-(3-naphthalen-2-ylbenzo[f]quinolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene
• SMILES: c1ccc2cc(-c3nc4ccc5ccccc5c4cc3-n3c4cccc5c6ccccc6n6c7ccccc7c7ccc3c(c54)c76)ccc2c1
• InChI: InChI=1S/C47H27N3/c1-2-12-30-26-31(21-20-28(30)10-1)46-43(27-37-32-13-4-3-11-29(32)22-24-38(37)48-46)49-41-19-9-16-35-33-14-5-7-17-39(33)50-40-18-8-6-15-34(40)36-23-25-42(49)45(44(35)41)47(36)50/h1-27H
• InChIKey: XWQPAMCQCZYDOK-UHFFFAOYSA-N
• XLogP: 12.46
• TPSA: 22.23 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.75
LogP ≤ 5	12.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 26-(3-naphthalen-2-ylbenzo[f]quinolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?

The IUPAC name of 26-(3-naphthalen-2-ylbenzo[f]quinolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene (CID 166496726) is 26-(3-naphthalen-2-ylbenzo[f]quinolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene.

What is the SMILES notation for 26-(3-naphthalen-2-ylbenzo[f]quinolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?

The canonical SMILES for 26-(3-naphthalen-2-ylbenzo[f]quinolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is c1ccc2cc(-c3nc4ccc5ccccc5c4cc3-n3c4cccc5c6ccccc6n6c7ccccc7c7ccc3c(c54)c76)ccc2c1.

What is the InChIKey of 26-(3-naphthalen-2-ylbenzo[f]quinolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?

The InChIKey is XWQPAMCQCZYDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27N3/c1-2-12-30-26-31(21-20-28(30)10-1)46-43(27-37-32-13-4-3-11-29(32)22-24-38(37)48-46)49-41-19-9-16-35-33-14-5-7-17-39(33)50-40-18-8-6-15-34(40)36-23-25-42(49)45(44(35)41)47(36)50/h1-27H.

What are the key properties of 26-(3-naphthalen-2-ylbenzo[f]quinolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene?

26-(3-naphthalen-2-ylbenzo[f]quinolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene has a molecular weight of 633.75 g/mol, XLogP of 12.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 26-(3-naphthalen-2-ylbenzo[f]quinolin-2-yl)-14,26-diazaheptacyclo[12.10.1.13,24.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8,10,12,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 166496726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).