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

C62H53NO — CID 155606395

IUPAC9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESCCC(C)c1ccc(COc2ccc(C3(c4cc(C)cc(C)c4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C62H53NO/c1-5-45(4)47-22-20-46(21-23-47)42-64-57-35-28-52(29-36-57)62(53-39-43(2)38-44(3)40-53)60-19-13-12-18-58(60)59-37-34-56(41-61(59)62)63(54-30-24-50(25-31-54)48-14-8-6-9-15-48)55-32-26-51(27-33-55)49-16-10-7-11-17-49/h6-41,45H,5,42H2,1-4H3
InChIKeyQERDBABZEMXMMC-UHFFFAOYSA-N
MW828.11 g/mol
LogP16.56
Rot. Bonds12

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

9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine (PubChem CID 155606395) has the molecular formula C62H53NO and a molecular weight of 828.11 g/mol. Its IUPAC name is 9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
PubChem CID155606395
Molecular FormulaC62H53NO
Molecular Weight828.11 g/mol
Exact Mass827.41
IUPAC Name9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine
SMILESCCC(C)c1ccc(COc2ccc(C3(c4cc(C)cc(C)c4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc43)cc2)cc1
InChIInChI=1S/C62H53NO/c1-5-45(4)47-22-20-46(21-23-47)42-64-57-35-28-52(29-36-57)62(53-39-43(2)38-44(3)40-53)60-19-13-12-18-58(60)59-37-34-56(41-61(59)62)63(54-30-24-50(25-31-54)48-14-8-6-9-15-48)55-32-26-51(27-33-55)49-16-10-7-11-17-49/h6-41,45H,5,42H2,1-4H3
InChIKeyQERDBABZEMXMMC-UHFFFAOYSA-N
XLogP16.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.11
LogP ≤ 516.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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-(3,5-dimethylphenyl)-N-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 154985535
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-butan-2-ylphenoxy)phenyl]-9-(4-methylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 154985541
9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-(4-tert-butylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine;9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-(4-methylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine;9-[4-[[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenyl]methoxy]phenyl]-9-phenyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 157247785
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
4-[9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(4-hexylphenyl)-6-[4-(N-phenylanilino)phenyl]fluoren-3-yl]-N,N-diphenylaniline
CID 154603891
N-[4-[9-[4-[[4-[5-[4-[N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)anilino]phenyl]hexan-3-yl]phenyl]methoxy]phenyl]-7-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 154608860
N-[9-[4-[4-[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)hexan-2-yl]phenoxy]phenyl]-9-(4-tert-butylphenyl)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]phenyl]methoxy]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]phenyl]methoxy]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]phenyl]methoxy]phenyl]-9-phenylfluoren-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]phenyl]methoxy]phenyl]-9-(4-propan-2-ylphenyl)fluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 159248726
N-[4-[9-[4-[(4-ethenylphenyl)methoxy]phenyl]-9-phenylfluoren-2-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 155087117

Frequently Asked Questions

What is the IUPAC name of 9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The IUPAC name of 9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine (CID 155606395) is 9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine.
What is the SMILES notation for 9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The canonical SMILES for 9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine is CCC(C)c1ccc(COc2ccc(C3(c4cc(C)cc(C)c4)c4ccccc4-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6)cc5)cc43)cc2)cc1.
What is the InChIKey of 9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?
The InChIKey is QERDBABZEMXMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H53NO/c1-5-45(4)47-22-20-46(21-23-47)42-64-57-35-28-52(29-36-57)62(53-39-43(2)38-44(3)40-53)60-19-13-12-18-58(60)59-37-34-56(41-61(59)62)63(54-30-24-50(25-31-54)48-14-8-6-9-15-48)55-32-26-51(27-33-55)49-16-10-7-11-17-49/h6-41,45H,5,42H2,1-4H3.
What are the key properties of 9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine?
9-[4-[(4-butan-2-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine has a molecular weight of 828.11 g/mol, XLogP of 16.56, 12 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-ylphenyl)methoxy]phenyl]-9-(3,5-dimethylphenyl)-N,N-bis(4-phenylphenyl)fluoren-2-amine is sourced from PubChem (CID 155606395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).