5-[4-[1,2-dihydrodibenzofuran-4-yl-(5-methylcyclohexa-1,3-dien-1-yl)amino]-1-methylcyclohexa-2,4-dien-1-yl]-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17-nonaen-18-amine

C67H56N2O2 — CID 154040078

About 5-[4-[1,2-dihydrodibenzofuran-4-yl-(5-methylcyclohexa-1,3-dien-1-yl)amino]-1-methylcyclohexa-2,4-dien-1-yl]-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17-nonaen-18-amine

5-[4-[1,2-dihydrodibenzofuran-4-yl-(5-methylcyclohexa-1,3-dien-1-yl)amino]-1-methylcyclohexa-2,4-dien-1-yl]-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17-nonaen-18-amine (PubChem CID 154040078) has the molecular formula C67H56N2O2 and a molecular weight of 921.20 g/mol. Its IUPAC name is 5-[4-[1,2-dihydrodibenzofuran-4-yl-(5-methylcyclohexa-1,3-dien-1-yl)amino]-1-methylcyclohexa-2,4-dien-1-yl]-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17-nonaen-18-amine.

Molecular Properties

• Compound Name: 5-[4-[1,2-dihydrodibenzofuran-4-yl-(5-methylcyclohexa-1,3-dien-1-yl)amino]-1-methylcyclohexa-2,4-dien-1-yl]-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17-nonaen-18-amine
• PubChem CID: 154040078
• Molecular Formula: C67H56N2O2
• Molecular Weight: 921.20 g/mol
• Exact Mass: 920.43
• IUPAC Name: 5-[4-[1,2-dihydrodibenzofuran-4-yl-(5-methylcyclohexa-1,3-dien-1-yl)amino]-1-methylcyclohexa-2,4-dien-1-yl]-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17-nonaen-18-amine
• SMILES: CC1C=CC=C(N(C2=CCC(C)(c3ccc4c5c(c6ccccc6c4c3)C3=CC=C(N(c4ccccc4)c4ccc6c(c4)C(C)(C)c4ccccc4-6)CC3O5)C=C2)C2=CCCc3c2oc2ccccc32)C1
• InChI: InChI=1S/C67H56N2O2/c1-42-16-14-19-46(38-42)69(60-26-15-24-54-52-22-11-13-27-61(52)70-64(54)60)45-34-36-67(4,37-35-45)43-28-31-55-57(39-43)49-20-8-9-23-53(49)63-56-33-30-48(41-62(56)71-65(55)63)68(44-17-6-5-7-18-44)47-29-32-51-50-21-10-12-25-58(50)66(2,3)59(51)40-47/h5-14,16-23,25-36,39-40,42,62H,15,24,37-38,41H2,1-4H3
• InChIKey: BVOGFLPYYGHPIZ-UHFFFAOYSA-N
• XLogP: 17.19
• TPSA: 28.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	921.20
LogP ≤ 5	17.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1,2-dihydrodibenzofuran-4-yl-(5-methylcyclohexa-1,3-dien-1-yl)amino]-1-methylcyclohexa-2,4-dien-1-yl]-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17-nonaen-18-amine?

The IUPAC name of 5-[4-[1,2-dihydrodibenzofuran-4-yl-(5-methylcyclohexa-1,3-dien-1-yl)amino]-1-methylcyclohexa-2,4-dien-1-yl]-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17-nonaen-18-amine (CID 154040078) is 5-[4-[1,2-dihydrodibenzofuran-4-yl-(5-methylcyclohexa-1,3-dien-1-yl)amino]-1-methylcyclohexa-2,4-dien-1-yl]-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17-nonaen-18-amine.

What is the SMILES notation for 5-[4-[1,2-dihydrodibenzofuran-4-yl-(5-methylcyclohexa-1,3-dien-1-yl)amino]-1-methylcyclohexa-2,4-dien-1-yl]-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17-nonaen-18-amine?

The canonical SMILES for 5-[4-[1,2-dihydrodibenzofuran-4-yl-(5-methylcyclohexa-1,3-dien-1-yl)amino]-1-methylcyclohexa-2,4-dien-1-yl]-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17-nonaen-18-amine is CC1C=CC=C(N(C2=CCC(C)(c3ccc4c5c(c6ccccc6c4c3)C3=CC=C(N(c4ccccc4)c4ccc6c(c4)C(C)(C)c4ccccc4-6)CC3O5)C=C2)C2=CCCc3c2oc2ccccc32)C1.

What is the InChIKey of 5-[4-[1,2-dihydrodibenzofuran-4-yl-(5-methylcyclohexa-1,3-dien-1-yl)amino]-1-methylcyclohexa-2,4-dien-1-yl]-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17-nonaen-18-amine?

The InChIKey is BVOGFLPYYGHPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H56N2O2/c1-42-16-14-19-46(38-42)69(60-26-15-24-54-52-22-11-13-27-61(52)70-64(54)60)45-34-36-67(4,37-35-45)43-28-31-55-57(39-43)49-20-8-9-23-53(49)63-56-33-30-48(41-62(56)71-65(55)63)68(44-17-6-5-7-18-44)47-29-32-51-50-21-10-12-25-58(50)66(2,3)59(51)40-47/h5-14,16-23,25-36,39-40,42,62H,15,24,37-38,41H2,1-4H3.

What are the key properties of 5-[4-[1,2-dihydrodibenzofuran-4-yl-(5-methylcyclohexa-1,3-dien-1-yl)amino]-1-methylcyclohexa-2,4-dien-1-yl]-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17-nonaen-18-amine?

5-[4-[1,2-dihydrodibenzofuran-4-yl-(5-methylcyclohexa-1,3-dien-1-yl)amino]-1-methylcyclohexa-2,4-dien-1-yl]-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17-nonaen-18-amine has a molecular weight of 921.20 g/mol, XLogP of 17.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[1,2-dihydrodibenzofuran-4-yl-(5-methylcyclohexa-1,3-dien-1-yl)amino]-1-methylcyclohexa-2,4-dien-1-yl]-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17-nonaen-18-amine is sourced from PubChem (CID 154040078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).