N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine

C66H44N4O — CID 158846525

About N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine

N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine (PubChem CID 158846525) has the molecular formula C66H44N4O and a molecular weight of 909.11 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine.

Molecular Properties

• Compound Name: N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine
• PubChem CID: 158846525
• Molecular Formula: C66H44N4O
• Molecular Weight: 909.11 g/mol
• Exact Mass: 908.35
• IUPAC Name: N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine
• SMILES: CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc(-n5c6ccccc6c6nc7c8ccccc8c8ccccc8n7c65)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cccc21
• InChI: InChI=1S/C66H44N4O/c1-66(2)55-23-9-5-19-53(55)61-56(66)24-14-27-59(61)68(45-39-33-43(34-40-45)47-21-13-22-51-50-17-8-12-28-60(50)71-63(47)51)44-35-29-41(30-36-44)42-31-37-46(38-32-42)69-58-26-11-7-20-54(58)62-65(69)70-57-25-10-6-16-49(57)48-15-3-4-18-52(48)64(70)67-62/h3-40H,1-2H3
• InChIKey: IYXCWNGRUUKGNS-UHFFFAOYSA-N
• XLogP: 17.75
• TPSA: 38.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	909.11
LogP ≤ 5	17.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine?

The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine (CID 158846525) is N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine.

What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine?

The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine is CC1(C)c2ccccc2-c2c(N(c3ccc(-c4ccc(-n5c6ccccc6c6nc7c8ccccc8c8ccccc8n7c65)cc4)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cccc21.

What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine?

The InChIKey is IYXCWNGRUUKGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N4O/c1-66(2)55-23-9-5-19-53(55)61-56(66)24-14-27-59(61)68(45-39-33-43(34-40-45)47-21-13-22-51-50-17-8-12-28-60(50)71-63(47)51)44-35-29-41(30-36-44)42-31-37-46(38-32-42)69-58-26-11-7-20-54(58)62-65(69)70-57-25-10-6-16-49(57)48-15-3-4-18-52(48)64(70)67-62/h3-40H,1-2H3.

What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine?

N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine has a molecular weight of 909.11 g/mol, XLogP of 17.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[4-(14,16,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.017,22]tetracosa-1(24),2,4,6,8,10,12,15(23),17,19,21-undecaen-16-yl)phenyl]phenyl]fluoren-4-amine is sourced from PubChem (CID 158846525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).