N-(9,9-dimethylfluoren-2-yl)-18-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine

C51H37NO — CID 176598088

About N-(9,9-dimethylfluoren-2-yl)-18-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine

N-(9,9-dimethylfluoren-2-yl)-18-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine (PubChem CID 176598088) has the molecular formula C51H37NO and a molecular weight of 684.89 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-18-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine.

Molecular Properties

• Compound Name: N-(9,9-dimethylfluoren-2-yl)-18-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine
• PubChem CID: 176598088
• Molecular Formula: C51H37NO
• Molecular Weight: 684.89 g/mol
• Exact Mass: 684.32
• IUPAC Name: N-(9,9-dimethylfluoren-2-yl)-18-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)-c2ccccc2-c2cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c2O3)c([2H])c1[2H]
• InChI: InChI=1S/C51H37NO/c1-51(2)46-22-12-11-20-42(46)43-30-29-39(33-47(43)51)52(38-27-24-36(25-28-38)34-14-5-3-6-15-34)48-23-13-21-44-40-18-9-10-19-41(40)45-32-37(35-16-7-4-8-17-35)26-31-49(45)53-50(44)48/h3-33H,1-2H3/i4D,7D,8D,16D,17D
• InChIKey: RPKRVDSVSFUJRP-NCIOFBODSA-N
• XLogP: 14.24
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	684.89
LogP ≤ 5	14.24
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)-18-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine?

The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-18-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine (CID 176598088) is N-(9,9-dimethylfluoren-2-yl)-18-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine.

What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-18-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine?

The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-18-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)-c2ccccc2-c2cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc5c(c4)C(C)(C)c4ccccc4-5)c2O3)c([2H])c1[2H].

What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-18-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine?

The InChIKey is RPKRVDSVSFUJRP-NCIOFBODSA-N. The full InChI is InChI=1S/C51H37NO/c1-51(2)46-22-12-11-20-42(46)43-30-29-39(33-47(43)51)52(38-27-24-36(25-28-38)34-14-5-3-6-15-34)48-23-13-21-44-40-18-9-10-19-41(40)45-32-37(35-16-7-4-8-17-35)26-31-49(45)53-50(44)48/h3-33H,1-2H3/i4D,7D,8D,16D,17D.

What are the key properties of N-(9,9-dimethylfluoren-2-yl)-18-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine?

N-(9,9-dimethylfluoren-2-yl)-18-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine has a molecular weight of 684.89 g/mol, XLogP of 14.24, 5 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)-18-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-12-amine is sourced from PubChem (CID 176598088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).