N-phenyl-N-(4-phenylphenyl)-3-(2,4,5',7'-tetramethyl-9,9'-spirobi[fluorene]-1'-yl)aniline

C53H41N — CID 146543841

IUPACN-phenyl-N-(4-phenylphenyl)-3-(2,4,5',7'-tetramethyl-9,9'-spirobi[fluorene]-1'-yl)aniline
SMILESCc1cc(C)c2c(c1)C1(c3ccccc3-2)c2cc(C)cc(C)c2-c2cccc(-c3cccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)c21
InChIInChI=1S/C53H41N/c1-34-29-36(3)50-45-21-11-12-24-47(45)53(48(50)31-34)49-32-35(2)30-37(4)51(49)46-23-14-22-44(52(46)53)40-17-13-20-43(33-40)54(41-18-9-6-10-19-41)42-27-25-39(26-28-42)38-15-7-5-8-16-38/h5-33H,1-4H3
InChIKeyQSCLUFYTXIZHJW-UHFFFAOYSA-N
MW691.92 g/mol
LogP14.07
Rot. Bonds5

About N-phenyl-N-(4-phenylphenyl)-3-(2,4,5',7'-tetramethyl-9,9'-spirobi[fluorene]-1'-yl)aniline

N-phenyl-N-(4-phenylphenyl)-3-(2,4,5',7'-tetramethyl-9,9'-spirobi[fluorene]-1'-yl)aniline (PubChem CID 146543841) has the molecular formula C53H41N and a molecular weight of 691.92 g/mol. Its IUPAC name is N-phenyl-N-(4-phenylphenyl)-3-(2,4,5',7'-tetramethyl-9,9'-spirobi[fluorene]-1'-yl)aniline.

Molecular Properties

Compound NameN-phenyl-N-(4-phenylphenyl)-3-(2,4,5',7'-tetramethyl-9,9'-spirobi[fluorene]-1'-yl)aniline
PubChem CID146543841
Molecular FormulaC53H41N
Molecular Weight691.92 g/mol
Exact Mass691.32
IUPAC NameN-phenyl-N-(4-phenylphenyl)-3-(2,4,5',7'-tetramethyl-9,9'-spirobi[fluorene]-1'-yl)aniline
SMILESCc1cc(C)c2c(c1)C1(c3ccccc3-2)c2cc(C)cc(C)c2-c2cccc(-c3cccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)c21
InChIInChI=1S/C53H41N/c1-34-29-36(3)50-45-21-11-12-24-47(45)53(48(50)31-34)49-32-35(2)30-37(4)51(49)46-23-14-22-44(52(46)53)40-17-13-20-43(33-40)54(41-18-9-6-10-19-41)42-27-25-39(26-28-42)38-15-7-5-8-16-38/h5-33H,1-4H3
InChIKeyQSCLUFYTXIZHJW-UHFFFAOYSA-N
XLogP14.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.92
LogP ≤ 514.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[3-(4,4',7'-trimethyl-9,9'-spirobi[fluorene]-1'-yl)phenyl]fluoren-2-amine
CID 137388034
2',7'-dimethyl-4-N',5-N'-diphenyl-4-N',5-N'-bis(4-phenylphenyl)-9,9'-spirobi[fluorene]-4',5'-diamine
CID 167056814
CID 118153657
CID 118153657
1-N,1-N,5-N,5-N-tetraphenyl-3-N-(4-phenylphenyl)-3-N-(5,7,9,9-tetramethylfluoren-2-yl)benzene-1,3,5-triamine
CID 177117455
N,4-diphenyl-N-[4-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]phenyl]aniline
CID 130380030
2-(4-fluoro-5',7'-dimethyl-2-prop-2-enyl-9,9'-spirobi[fluorene]-1'-yl)-N,N-bis(4-phenylphenyl)aniline
CID 137388125
3-N-(5'-methyl-9,9'-spirobi[fluorene]-2'-yl)-1-N,1-N,5-N,5-N-tetraphenyl-3-N-(3-phenylphenyl)benzene-1,3,5-triamine
CID 177117432
CID 171402038
CID 171402038
N-[4-[4-(N-(2',7'-dimethyl-9,9'-spirobi[fluorene]-2-yl)anilino)phenyl]phenyl]-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 158001186
3-[2-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N,N-bis(4-methylphenyl)aniline
CID 67071863
2-methyl-N,N,7'-triphenyl-9,9'-spirobi[fluorene]-2'-amine
CID 21042261
2-N'-[4-(3-methylphenyl)phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 170019632

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-(4-phenylphenyl)-3-(2,4,5',7'-tetramethyl-9,9'-spirobi[fluorene]-1'-yl)aniline?
The IUPAC name of N-phenyl-N-(4-phenylphenyl)-3-(2,4,5',7'-tetramethyl-9,9'-spirobi[fluorene]-1'-yl)aniline (CID 146543841) is N-phenyl-N-(4-phenylphenyl)-3-(2,4,5',7'-tetramethyl-9,9'-spirobi[fluorene]-1'-yl)aniline.
What is the SMILES notation for N-phenyl-N-(4-phenylphenyl)-3-(2,4,5',7'-tetramethyl-9,9'-spirobi[fluorene]-1'-yl)aniline?
The canonical SMILES for N-phenyl-N-(4-phenylphenyl)-3-(2,4,5',7'-tetramethyl-9,9'-spirobi[fluorene]-1'-yl)aniline is Cc1cc(C)c2c(c1)C1(c3ccccc3-2)c2cc(C)cc(C)c2-c2cccc(-c3cccc(N(c4ccccc4)c4ccc(-c5ccccc5)cc4)c3)c21.
What is the InChIKey of N-phenyl-N-(4-phenylphenyl)-3-(2,4,5',7'-tetramethyl-9,9'-spirobi[fluorene]-1'-yl)aniline?
The InChIKey is QSCLUFYTXIZHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H41N/c1-34-29-36(3)50-45-21-11-12-24-47(45)53(48(50)31-34)49-32-35(2)30-37(4)51(49)46-23-14-22-44(52(46)53)40-17-13-20-43(33-40)54(41-18-9-6-10-19-41)42-27-25-39(26-28-42)38-15-7-5-8-16-38/h5-33H,1-4H3.
What are the key properties of N-phenyl-N-(4-phenylphenyl)-3-(2,4,5',7'-tetramethyl-9,9'-spirobi[fluorene]-1'-yl)aniline?
N-phenyl-N-(4-phenylphenyl)-3-(2,4,5',7'-tetramethyl-9,9'-spirobi[fluorene]-1'-yl)aniline has a molecular weight of 691.92 g/mol, XLogP of 14.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-(4-phenylphenyl)-3-(2,4,5',7'-tetramethyl-9,9'-spirobi[fluorene]-1'-yl)aniline is sourced from PubChem (CID 146543841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).