N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

C48H45N — CID 174307439

IUPACN-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3cccc(C4CCCCC4)c3)cc21
InChIInChI=1S/C48H45N/c1-47(2)42-22-11-8-20-38(42)40-27-25-35(30-44(40)47)49(36-26-28-41-39-21-9-12-23-43(39)48(3,4)45(41)31-36)46-24-13-10-19-37(46)34-18-14-17-33(29-34)32-15-6-5-7-16-32/h8-14,17-32H,5-7,15-16H2,1-4H3
InChIKeyHNGPAWGNQACUNG-UHFFFAOYSA-N
MW635.90 g/mol
LogP13.48
Rot. Bonds5

About N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine

N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (PubChem CID 174307439) has the molecular formula C48H45N and a molecular weight of 635.90 g/mol. Its IUPAC name is N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.

Molecular Properties

Compound NameN-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
PubChem CID174307439
Molecular FormulaC48H45N
Molecular Weight635.90 g/mol
Exact Mass635.36
IUPAC NameN-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3cccc(C4CCCCC4)c3)cc21
InChIInChI=1S/C48H45N/c1-47(2)42-22-11-8-20-38(42)40-27-25-35(30-44(40)47)49(36-26-28-41-39-21-9-12-23-43(39)48(3,4)45(41)31-36)46-24-13-10-19-37(46)34-18-14-17-33(29-34)32-15-6-5-7-16-32/h8-14,17-32H,5-7,15-16H2,1-4H3
InChIKeyHNGPAWGNQACUNG-UHFFFAOYSA-N
XLogP13.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.90
LogP ≤ 513.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-cyclohexylphenyl)-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467353
N-(3-cyclohexylphenyl)-N-[3-[3-(4-cyclohexylphenyl)-2-methylphenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467169
N-(4-cyclohexylphenyl)-5-(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171438963
N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[3-(3,5-dicyclohexylphenyl)phenyl]-3-methylphenyl]-9,9-dimethylfluoren-2-amine
CID 155466814
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060417
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
7-cyclohexyl-N-[4-(2-cyclohexylphenyl)phenyl]-9,9-dimethyl-N-(2-phenylphenyl)fluoren-2-amine
CID 164970193
N-[2-(2-cyclohexylphenyl)phenyl]-N-[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771699
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170303846
N-[4-(3-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)-5,6,7,8-tetrahydronaphthalen-1-yl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467065
6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 165082497
N-[4-(4-cyclohexylphenyl)phenyl]-N-[4-[4-(3,5-dicyclohexylphenyl)phenyl]phenyl]-9,9-dimethylfluoren-2-amine
CID 155467370

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The IUPAC name of N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine (CID 174307439) is N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine.
What is the SMILES notation for N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The canonical SMILES for N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C)(C)c3ccccc3-4)c3ccccc3-c3cccc(C4CCCCC4)c3)cc21.
What is the InChIKey of N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
The InChIKey is HNGPAWGNQACUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H45N/c1-47(2)42-22-11-8-20-38(42)40-27-25-35(30-44(40)47)49(36-26-28-41-39-21-9-12-23-43(39)48(3,4)45(41)31-36)46-24-13-10-19-37(46)34-18-14-17-33(29-34)32-15-6-5-7-16-32/h8-14,17-32H,5-7,15-16H2,1-4H3.
What are the key properties of N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine?
N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine has a molecular weight of 635.90 g/mol, XLogP of 13.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine is sourced from PubChem (CID 174307439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).