N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-6-amine

C43H31NO — CID 171757650

About N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-6-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-6-amine (PubChem CID 171757650) has the molecular formula C43H31NO and a molecular weight of 577.73 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-6-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-6-amine
• PubChem CID: 171757650
• Molecular Formula: C43H31NO
• Molecular Weight: 577.73 g/mol
• Exact Mass: 577.24
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-6-amine
• SMILES: CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3Oc3ccccc3-c3c-4ccc4ccccc34)cc21
• InChI: InChI=1S/C43H31NO/c1-43(2)37-20-10-8-17-32(37)33-26-24-30(27-38(33)43)44(29-14-4-3-5-15-29)39-21-12-19-35-34-25-23-28-13-6-7-16-31(28)41(34)36-18-9-11-22-40(36)45-42(35)39/h3-27H,1-2H3
• InChIKey: IKKCETYUXGCMAY-UHFFFAOYSA-N
• XLogP: 12.06
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.73
LogP ≤ 5	12.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-6-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-6-amine (CID 171757650) is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-6-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-6-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-6-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cccc4c3Oc3ccccc3-c3c-4ccc4ccccc34)cc21.

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-6-amine?

The InChIKey is IKKCETYUXGCMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31NO/c1-43(2)37-20-10-8-17-32(37)33-26-24-30(27-38(33)43)44(29-14-4-3-5-15-29)39-21-12-19-35-34-25-23-28-13-6-7-16-31(28)41(34)36-18-9-11-22-40(36)45-42(35)39/h3-27H,1-2H3.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-6-amine?

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-6-amine has a molecular weight of 577.73 g/mol, XLogP of 12.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-8-oxapentacyclo[13.8.0.02,7.09,14.016,21]tricosa-1(15),2(7),3,5,9,11,13,16,18,20,22-undecaen-6-amine is sourced from PubChem (CID 171757650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).