7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

C51H51N — CID 164970193

IUPAC7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(C3CCCCC3)ccc2-c2ccc(N(c3ccc(-c4ccccc4C4CCCCC4)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C51H51N/c1-51(2)48-34-40(36-16-6-3-7-17-36)28-32-46(48)47-33-31-42(35-49(47)51)52(50-25-15-14-24-45(50)38-20-10-5-11-21-38)41-29-26-39(27-30-41)44-23-13-12-22-43(44)37-18-8-4-9-19-37/h5,10-15,20-37H,3-4,6-9,16-19H2,1-2H3
InChIKeyFVQQZYQEQBCXOY-UHFFFAOYSA-N
MW677.98 g/mol
LogP14.89
Rot. Bonds7

About 7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine

7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (PubChem CID 164970193) has the molecular formula C51H51N and a molecular weight of 677.98 g/mol. Its IUPAC name is 7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
PubChem CID164970193
Molecular FormulaC51H51N
Molecular Weight677.98 g/mol
Exact Mass677.40
IUPAC Name7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
SMILESCC1(C)c2cc(C3CCCCC3)ccc2-c2ccc(N(c3ccc(-c4ccccc4C4CCCCC4)cc3)c3ccccc3-c3ccccc3)cc21
InChIInChI=1S/C51H51N/c1-51(2)48-34-40(36-16-6-3-7-17-36)28-32-46(48)47-33-31-42(35-49(47)51)52(50-25-15-14-24-45(50)38-20-10-5-11-21-38)41-29-26-39(27-30-41)44-23-13-12-22-43(44)37-18-8-4-9-19-37/h5,10-15,20-37H,3-4,6-9,16-19H2,1-2H3
InChIKeyFVQQZYQEQBCXOY-UHFFFAOYSA-N
XLogP14.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms52
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.98
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The IUPAC name of 7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine (CID 164970193) is 7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is CC1(C)c2cc(C3CCCCC3)ccc2-c2ccc(N(c3ccc(-c4ccccc4C4CCCCC4)cc3)c3ccccc3-c3ccccc3)cc21.
What is the InChIKey of 7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
The InChIKey is FVQQZYQEQBCXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H51N/c1-51(2)48-34-40(36-16-6-3-7-17-36)28-32-46(48)47-33-31-42(35-49(47)51)52(50-25-15-14-24-45(50)38-20-10-5-11-21-38)41-29-26-39(27-30-41)44-23-13-12-22-43(44)37-18-8-4-9-19-37/h5,10-15,20-37H,3-4,6-9,16-19H2,1-2H3.
What are the key properties of 7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine?
7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine has a molecular weight of 677.98 g/mol, XLogP of 14.89, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 164970193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).