benzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline

C53H43N — CID 142480948

IUPACbenzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4C(C)(C)c4ccccc43)cc2)cc1.c1ccccc1
InChIInChI=1S/C47H37N.C6H6/c1-32-24-28-35(29-25-32)48(34-14-5-4-6-15-34)36-30-26-33(27-31-36)37-17-13-23-44-45(37)38-16-7-8-18-39(38)47(44)42-21-11-9-19-40(42)46(2,3)41-20-10-12-22-43(41)47;1-2-4-6-5-3-1/h4-31H,1-3H3;1-6H
InChIKeyLOLIWTAAFJXSNE-UHFFFAOYSA-N
MW693.93 g/mol
LogP13.82
Rot. Bonds4

About benzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline

benzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline (PubChem CID 142480948) has the molecular formula C53H43N and a molecular weight of 693.93 g/mol. Its IUPAC name is benzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline.

Molecular Properties

Compound Namebenzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline
PubChem CID142480948
Molecular FormulaC53H43N
Molecular Weight693.93 g/mol
Exact Mass693.34
IUPAC Namebenzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline
SMILESCc1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4C(C)(C)c4ccccc43)cc2)cc1.c1ccccc1
InChIInChI=1S/C47H37N.C6H6/c1-32-24-28-35(29-25-32)48(34-14-5-4-6-15-34)36-30-26-33(27-31-36)37-17-13-23-44-45(37)38-16-7-8-18-39(38)47(44)42-21-11-9-19-40(42)46(2,3)41-20-10-12-22-43(41)47;1-2-4-6-5-3-1/h4-31H,1-3H3;1-6H
InChIKeyLOLIWTAAFJXSNE-UHFFFAOYSA-N
XLogP13.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.93
LogP ≤ 513.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

CID 118153721
CID 118153721
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N,4'-diphenyl-9,9'-spirobi[fluorene]-4-amine
CID 129258928
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-2-phenyl-N-(4-phenylphenyl)aniline;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-3-phenyl-N-(4-phenylphenyl)aniline
CID 157243923
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 146247477
N-(9,9-dimethylfluoren-2-yl)-2',7'-dimethyl-5-phenyl-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 154588670
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158824840
3-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-N-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline
CID 129266899
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
CID 118153657
CID 118153657
N-(4-methylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 121285757
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline
CID 142480693

Frequently Asked Questions

What is the IUPAC name of benzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline?
The IUPAC name of benzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline (CID 142480948) is benzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline.
What is the SMILES notation for benzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline?
The canonical SMILES for benzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline is Cc1ccc(N(c2ccccc2)c2ccc(-c3cccc4c3-c3ccccc3C43c4ccccc4C(C)(C)c4ccccc43)cc2)cc1.c1ccccc1.
What is the InChIKey of benzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline?
The InChIKey is LOLIWTAAFJXSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37N.C6H6/c1-32-24-28-35(29-25-32)48(34-14-5-4-6-15-34)36-30-26-33(27-31-36)37-17-13-23-44-45(37)38-16-7-8-18-39(38)47(44)42-21-11-9-19-40(42)46(2,3)41-20-10-12-22-43(41)47;1-2-4-6-5-3-1/h4-31H,1-3H3;1-6H.
What are the key properties of benzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline?
benzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline has a molecular weight of 693.93 g/mol, XLogP of 13.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline is sourced from PubChem (CID 142480948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).