N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(2,4,6-tricyclohexylphenyl)phenyl]phenyl]fluoren-2-amine

C71H81N — CID 155467234

About N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(2,4,6-tricyclohexylphenyl)phenyl]phenyl]fluoren-2-amine

N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(2,4,6-tricyclohexylphenyl)phenyl]phenyl]fluoren-2-amine (PubChem CID 155467234) has the molecular formula C71H81N and a molecular weight of 948.44 g/mol. Its IUPAC name is N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(2,4,6-tricyclohexylphenyl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

• Compound Name: N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(2,4,6-tricyclohexylphenyl)phenyl]phenyl]fluoren-2-amine
• PubChem CID: 155467234
• Molecular Formula: C71H81N
• Molecular Weight: 948.44 g/mol
• Exact Mass: 947.64
• IUPAC Name: N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(2,4,6-tricyclohexylphenyl)phenyl]phenyl]fluoren-2-amine
• SMILES: CC(C)(C)c1cc(-c2ccc(N(c3ccc(-c4ccc(-c5c(C6CCCCC6)cc(C6CCCCC6)cc5C5CCCCC5)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc(C(C)(C)C)c1
• InChI: InChI=1S/C71H81N/c1-69(2,3)57-42-55(43-58(46-57)70(4,5)6)51-34-38-60(39-35-51)72(61-40-41-63-62-26-18-19-27-66(62)71(7,8)67(63)47-61)59-36-32-50(33-37-59)49-28-30-54(31-29-49)68-64(52-22-14-10-15-23-52)44-56(48-20-12-9-13-21-48)45-65(68)53-24-16-11-17-25-53/h18-19,26-48,52-53H,9-17,20-25H2,1-8H3
• InChIKey: VFLUMQMXGCFTMB-UHFFFAOYSA-N
• XLogP: 21.20
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	948.44
LogP ≤ 5	21.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(2,4,6-tricyclohexylphenyl)phenyl]phenyl]fluoren-2-amine?

The IUPAC name of N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(2,4,6-tricyclohexylphenyl)phenyl]phenyl]fluoren-2-amine (CID 155467234) is N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(2,4,6-tricyclohexylphenyl)phenyl]phenyl]fluoren-2-amine.

What is the SMILES notation for N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(2,4,6-tricyclohexylphenyl)phenyl]phenyl]fluoren-2-amine?

The canonical SMILES for N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(2,4,6-tricyclohexylphenyl)phenyl]phenyl]fluoren-2-amine is CC(C)(C)c1cc(-c2ccc(N(c3ccc(-c4ccc(-c5c(C6CCCCC6)cc(C6CCCCC6)cc5C5CCCCC5)cc4)cc3)c3ccc4c(c3)C(C)(C)c3ccccc3-4)cc2)cc(C(C)(C)C)c1.

What is the InChIKey of N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(2,4,6-tricyclohexylphenyl)phenyl]phenyl]fluoren-2-amine?

The InChIKey is VFLUMQMXGCFTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H81N/c1-69(2,3)57-42-55(43-58(46-57)70(4,5)6)51-34-38-60(39-35-51)72(61-40-41-63-62-26-18-19-27-66(62)71(7,8)67(63)47-61)59-36-32-50(33-37-59)49-28-30-54(31-29-49)68-64(52-22-14-10-15-23-52)44-56(48-20-12-9-13-21-48)45-65(68)53-24-16-11-17-25-53/h18-19,26-48,52-53H,9-17,20-25H2,1-8H3.

What are the key properties of N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(2,4,6-tricyclohexylphenyl)phenyl]phenyl]fluoren-2-amine?

N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(2,4,6-tricyclohexylphenyl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 948.44 g/mol, XLogP of 21.20, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3,5-ditert-butylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(2,4,6-tricyclohexylphenyl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 155467234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).