26-[3-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene

C47H34N4 — CID 129199806

About 26-[3-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene

26-[3-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene (PubChem CID 129199806) has the molecular formula C47H34N4 and a molecular weight of 654.82 g/mol. Its IUPAC name is 26-[3-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene.

Molecular Properties

• Compound Name: 26-[3-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
• PubChem CID: 129199806
• Molecular Formula: C47H34N4
• Molecular Weight: 654.82 g/mol
• Exact Mass: 654.28
• IUPAC Name: 26-[3-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene
• SMILES: CC1(C)c2ccccc2-c2ccc(C3Nc4ccccc4NC3n3c4cccc5c6cccc7c8ccccc8n(c8cccc3c8c54)c67)cc21
• InChI: InChI=1S/C47H34N4/c1-47(2)34-17-5-3-12-28(34)29-25-24-27(26-35(29)47)44-46(49-37-19-7-6-18-36(37)48-44)51-39-21-10-14-31-33-16-9-15-32-30-13-4-8-20-38(30)50(45(32)33)40-22-11-23-41(51)43(40)42(31)39/h3-26,44,46,48-49H,1-2H3
• InChIKey: QFEKZWYJBRKHMS-UHFFFAOYSA-N
• XLogP: 12.03
• TPSA: 33.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.82
LogP ≤ 5	12.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 26-[3-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

The IUPAC name of 26-[3-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene (CID 129199806) is 26-[3-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene.

What is the SMILES notation for 26-[3-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

The canonical SMILES for 26-[3-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene is CC1(C)c2ccccc2-c2ccc(C3Nc4ccccc4NC3n3c4cccc5c6cccc7c8ccccc8n(c8cccc3c8c54)c67)cc21.

What is the InChIKey of 26-[3-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

The InChIKey is QFEKZWYJBRKHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H34N4/c1-47(2)34-17-5-3-12-28(34)29-25-24-27(26-35(29)47)44-46(49-37-19-7-6-18-36(37)48-44)51-39-21-10-14-31-33-16-9-15-32-30-13-4-8-20-38(30)50(45(32)33)40-22-11-23-41(51)43(40)42(31)39/h3-26,44,46,48-49H,1-2H3.

What are the key properties of 26-[3-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene?

26-[3-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene has a molecular weight of 654.82 g/mol, XLogP of 12.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 26-[3-(9,9-dimethylfluoren-2-yl)-1,2,3,4-tetrahydroquinoxalin-2-yl]-14,26-diazaheptacyclo[12.10.1.16,9.02,7.08,13.015,20.021,25]hexacosa-1(24),2(7),3,5,8(13),9,11,15,17,19,21(25),22-dodecaene is sourced from PubChem (CID 129199806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).