9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(3,5-dimethylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine

C55H47NO — CID 154985535

IUPAC9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(3,5-dimethylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCCC(C)c1ccc(Oc2ccc(C3(c4cc(C)cc(C)c4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C55H47NO/c1-5-40(4)41-22-29-49(30-23-41)57-50-31-24-44(25-32-50)55(45-35-38(2)34-39(3)36-45)53-19-13-12-18-51(53)52-33-28-48(37-54(52)55)56(46-16-10-7-11-17-46)47-26-20-43(21-27-47)42-14-8-6-9-15-42/h6-37,40H,5H2,1-4H3
InChIKeyVLYSPUGLCKNWDH-UHFFFAOYSA-N
MW737.99 g/mol
LogP15.11
Rot. Bonds10

About 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(3,5-dimethylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine

9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(3,5-dimethylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine (PubChem CID 154985535) has the molecular formula C55H47NO and a molecular weight of 737.99 g/mol. Its IUPAC name is 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(3,5-dimethylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(3,5-dimethylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
PubChem CID154985535
Molecular FormulaC55H47NO
Molecular Weight737.99 g/mol
Exact Mass737.37
IUPAC Name9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(3,5-dimethylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
SMILESCCC(C)c1ccc(Oc2ccc(C3(c4cc(C)cc(C)c4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C55H47NO/c1-5-40(4)41-22-29-49(30-23-41)57-50-31-24-44(25-32-50)55(45-35-38(2)34-39(3)36-45)53-19-13-12-18-51(53)52-33-28-48(37-54(52)55)56(46-16-10-7-11-17-46)47-26-20-43(21-27-47)42-14-8-6-9-15-42/h6-37,40H,5H2,1-4H3
InChIKeyVLYSPUGLCKNWDH-UHFFFAOYSA-N
XLogP15.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.99
LogP ≤ 515.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 154985541
9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 155606395
N-[9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155606335
9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine;9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine;9-[4-(4-butan-2-ylphenoxy)phenyl]-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 158206936
9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-hexylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 155606387
N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-tert-butylphenyl)fluoren-2-yl]-N,9,9-triphenylfluoren-2-amine
CID 155606293
N-[9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 155606269
N-[9-[4-[4-[(4S)-5-ethyl-4,5-dimethylheptan-2-yl]phenoxy]phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 154985544
9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(4-tert-butylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(4-methylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159356354
9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 155606239
N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-(3,5-dimethylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-(4-hexylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164959852
9-(4-phenoxyphenyl)-N-[4-[4-(N-[9-(4-phenoxyphenyl)-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-yl]anilino)phenyl]phenyl]-N-phenyl-9-(4-prop-2-enylsulfanylphenyl)fluoren-2-amine
CID 146517163

Frequently Asked Questions

What is the IUPAC name of 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(3,5-dimethylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(3,5-dimethylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine (CID 154985535) is 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(3,5-dimethylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(3,5-dimethylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(3,5-dimethylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine is CCC(C)c1ccc(Oc2ccc(C3(c4cc(C)cc(C)c4)c4ccccc4-c4ccc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)cc43)cc2)cc1.
What is the InChIKey of 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(3,5-dimethylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
The InChIKey is VLYSPUGLCKNWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H47NO/c1-5-40(4)41-22-29-49(30-23-41)57-50-31-24-44(25-32-50)55(45-35-38(2)34-39(3)36-45)53-19-13-12-18-51(53)52-33-28-48(37-54(52)55)56(46-16-10-7-11-17-46)47-26-20-43(21-27-47)42-14-8-6-9-15-42/h6-37,40H,5H2,1-4H3.
What are the key properties of 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(3,5-dimethylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine?
9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(3,5-dimethylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine has a molecular weight of 737.99 g/mol, XLogP of 15.11, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(4-butan-2-ylphenoxy)phenyl]-9-(3,5-dimethylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 154985535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).