9,9-dimethyl-N-[4-[11-(2,3,4,5,6-pentadeuteriophenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-6-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine

C61H43NO — CID 176597426

About 9,9-dimethyl-N-[4-[11-(2,3,4,5,6-pentadeuteriophenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-6-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine

9,9-dimethyl-N-[4-[11-(2,3,4,5,6-pentadeuteriophenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-6-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 176597426) has the molecular formula C61H43NO and a molecular weight of 811.05 g/mol. Its IUPAC name is 9,9-dimethyl-N-[4-[11-(2,3,4,5,6-pentadeuteriophenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-6-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

• Compound Name: 9,9-dimethyl-N-[4-[11-(2,3,4,5,6-pentadeuteriophenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-6-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• PubChem CID: 176597426
• Molecular Formula: C61H43NO
• Molecular Weight: 811.05 g/mol
• Exact Mass: 810.37
• IUPAC Name: 9,9-dimethyl-N-[4-[11-(2,3,4,5,6-pentadeuteriophenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-6-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)Oc2c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cccc2-c2cc4ccccc4cc2-3)c([2H])c1[2H]
• InChI: InChI=1S/C61H43NO/c1-61(2)57-23-12-11-20-51(57)52-35-33-49(39-58(52)61)62(47-29-24-42(25-30-47)40-14-5-3-6-15-40)48-31-26-43(27-32-48)50-21-13-22-54-56-37-45-19-10-9-18-44(45)36-55(56)53-34-28-46(38-59(53)63-60(50)54)41-16-7-4-8-17-41/h3-39H,1-2H3/i4D,7D,8D,16D,17D
• InChIKey: LAXKCCBBAVEWAD-NCIOFBODSA-N
• XLogP: 17.06
• TPSA: 12.47 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.05
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-[4-[11-(2,3,4,5,6-pentadeuteriophenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-6-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The IUPAC name of 9,9-dimethyl-N-[4-[11-(2,3,4,5,6-pentadeuteriophenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-6-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine (CID 176597426) is 9,9-dimethyl-N-[4-[11-(2,3,4,5,6-pentadeuteriophenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-6-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine.

What is the SMILES notation for 9,9-dimethyl-N-[4-[11-(2,3,4,5,6-pentadeuteriophenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-6-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The canonical SMILES for 9,9-dimethyl-N-[4-[11-(2,3,4,5,6-pentadeuteriophenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-6-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)Oc2c(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc6c(c5)C(C)(C)c5ccccc5-6)cc4)cccc2-c2cc4ccccc4cc2-3)c([2H])c1[2H].

What is the InChIKey of 9,9-dimethyl-N-[4-[11-(2,3,4,5,6-pentadeuteriophenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-6-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

The InChIKey is LAXKCCBBAVEWAD-NCIOFBODSA-N. The full InChI is InChI=1S/C61H43NO/c1-61(2)57-23-12-11-20-51(57)52-35-33-49(39-58(52)61)62(47-29-24-42(25-30-47)40-14-5-3-6-15-40)48-31-26-43(27-32-48)50-21-13-22-54-56-37-45-19-10-9-18-44(45)36-55(56)53-34-28-46(38-59(53)63-60(50)54)41-16-7-4-8-17-41/h3-39H,1-2H3/i4D,7D,8D,16D,17D.

What are the key properties of 9,9-dimethyl-N-[4-[11-(2,3,4,5,6-pentadeuteriophenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-6-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine?

9,9-dimethyl-N-[4-[11-(2,3,4,5,6-pentadeuteriophenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-6-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 811.05 g/mol, XLogP of 17.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9,9-dimethyl-N-[4-[11-(2,3,4,5,6-pentadeuteriophenyl)-8-oxapentacyclo[13.8.0.02,7.09,14.017,22]tricosa-1(23),2,4,6,9(14),10,12,15,17,19,21-undecaen-6-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 176597426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).