9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine

C57H48N2 — CID 154603864

IUPAC9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCCC(C)c1ccc(CC2(C)c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc3-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C57H48N2/c1-4-40(2)42-31-29-41(30-32-42)39-57(3)53-37-47(58(45-21-7-5-8-22-45)55-27-15-19-43-17-11-13-25-49(43)55)33-35-51(53)52-36-34-48(38-54(52)57)59(46-23-9-6-10-24-46)56-28-16-20-44-18-12-14-26-50(44)56/h5-38,40H,4,39H2,1-3H3
InChIKeyXYTMAOFSMGCHEG-UHFFFAOYSA-N
MW761.03 g/mol
LogP15.98
Rot. Bonds10

About 9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine

9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine (PubChem CID 154603864) has the molecular formula C57H48N2 and a molecular weight of 761.03 g/mol. Its IUPAC name is 9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine.

Molecular Properties

Compound Name9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
PubChem CID154603864
Molecular FormulaC57H48N2
Molecular Weight761.03 g/mol
Exact Mass760.38
IUPAC Name9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine
SMILESCCC(C)c1ccc(CC2(C)c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc3-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C57H48N2/c1-4-40(2)42-31-29-41(30-32-42)39-57(3)53-37-47(58(45-21-7-5-8-22-45)55-27-15-19-43-17-11-13-25-49(43)55)33-35-51(53)52-36-34-48(38-54(52)57)59(46-23-9-6-10-24-46)56-28-16-20-44-18-12-14-26-50(44)56/h5-38,40H,4,39H2,1-3H3
InChIKeyXYTMAOFSMGCHEG-UHFFFAOYSA-N
XLogP15.98
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.03
LogP ≤ 515.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(4-butan-2-ylphenyl)-3-N-naphthalen-1-yl-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59747058
6,6,12,12-tetramethyl-2-N,2-N,8-N,8-N-tetrakis[4-(N-naphthalen-1-ylanilino)phenyl]indeno[1,2-b]fluorene-2,8-diamine
CID 59801002
4-N-(4-butan-2-ylphenyl)-1-N,4-N-dinaphthalen-1-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-phenylbenzene-1,4-diamine;4-N-(4-butan-2-ylphenyl)-4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 90967066
9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]fluorene-2,7-diamine
CID 58713802
9,9-dimethyl-N-naphthalen-1-yl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 118245872
N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;1-N,1-N-diphenyl-4-N,4-N-bis[4-(N-phenylanilino)phenyl]benzene-1,4-diamine;4-N-naphthalen-1-yl-1-N,1-N-bis[4-(N-naphthalen-1-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine;2-N,2-N,2-N',2-N',7-N,7-N,7-N',7-N'-octakis-phenyl-9,9'-spirobi[fluorene]-2,2',7,7'-tetramine
CID 159694712
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
1-N,5-N-bis(4-butan-2-ylphenyl)-1-N,5-N-bis(4-phenylphenyl)naphthalene-1,5-diamine
CID 58426696
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
9,9-dimethyl-N-naphthalen-1-yl-N-[4-[5-(N-naphthalen-1-ylanilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221637
9,9-dimethyl-N-[4-[4-[N-naphthalen-1-yl-4-(3-phenylphenyl)anilino]phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-[4-(3-phenylphenyl)phenyl]-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]naphthalen-1-amine
CID 158708214

Frequently Asked Questions

What is the IUPAC name of 9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
The IUPAC name of 9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine (CID 154603864) is 9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine.
What is the SMILES notation for 9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
The canonical SMILES for 9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine is CCC(C)c1ccc(CC2(C)c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc3-c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc32)cc1.
What is the InChIKey of 9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
The InChIKey is XYTMAOFSMGCHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H48N2/c1-4-40(2)42-31-29-41(30-32-42)39-57(3)53-37-47(58(45-21-7-5-8-22-45)55-27-15-19-43-17-11-13-25-49(43)55)33-35-51(53)52-36-34-48(38-54(52)57)59(46-23-9-6-10-24-46)56-28-16-20-44-18-12-14-26-50(44)56/h5-38,40H,4,39H2,1-3H3.
What are the key properties of 9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine?
9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine has a molecular weight of 761.03 g/mol, XLogP of 15.98, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-butan-2-ylphenyl)methyl]-9-methyl-2-N,7-N-dinaphthalen-1-yl-2-N,7-N-diphenylfluorene-2,7-diamine is sourced from PubChem (CID 154603864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).