N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline

C47H37N — CID 142480693

IUPACN-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline
SMILESCN(c1ccc(-c2cccc3c2-c2ccccc2C32c3ccccc3C(C)(C)c3ccccc32)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C47H37N/c1-46(2)39-22-10-12-24-41(39)47(42-25-13-11-23-40(42)46)38-21-9-7-19-37(38)45-36(20-15-26-43(45)47)33-28-30-34(31-29-33)48(3)44-27-14-8-18-35(44)32-16-5-4-6-17-32/h4-31H,1-3H3
InChIKeyAIJQBWSKDMSSQS-UHFFFAOYSA-N
MW615.82 g/mol
LogP11.79
Rot. Bonds4

About N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline

N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline (PubChem CID 142480693) has the molecular formula C47H37N and a molecular weight of 615.82 g/mol. Its IUPAC name is N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline
PubChem CID142480693
Molecular FormulaC47H37N
Molecular Weight615.82 g/mol
Exact Mass615.29
IUPAC NameN-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline
SMILESCN(c1ccc(-c2cccc3c2-c2ccccc2C32c3ccccc3C(C)(C)c3ccccc32)cc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C47H37N/c1-46(2)39-22-10-12-24-41(39)47(42-25-13-11-23-40(42)46)38-21-9-7-19-37(38)45-36(20-15-26-43(45)47)33-28-30-34(31-29-33)48(3)44-27-14-8-18-35(44)32-16-5-4-6-17-32/h4-31H,1-3H3
InChIKeyAIJQBWSKDMSSQS-UHFFFAOYSA-N
XLogP11.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.82
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481166
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-methyl-4-(4-phenylphenyl)aniline
CID 154957513
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-4'-amine
CID 142481112
N,9,9-trimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-4-amine
CID 166028521
benzene;N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-4-methyl-N-phenylaniline
CID 142480948
N-(9,9-dimethylfluoren-2-yl)-2,5'-diphenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 154588633
N-(9,9-dimethylfluoren-2-yl)-4'-phenyl-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 129258991
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine;9,9-diphenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-4'-amine
CID 161111412
CID 118153763
CID 118153763
N-(9,9-dimethylfluoren-2-yl)-4'-[4-[4-[(9,9-dimethylfluoren-2-yl)-(9,9'-spirobi[fluorene]-3-yl)amino]phenyl]phenyl]-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 138643316

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline?
The IUPAC name of N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline (CID 142480693) is N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline.
What is the SMILES notation for N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline?
The canonical SMILES for N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline is CN(c1ccc(-c2cccc3c2-c2ccccc2C32c3ccccc3C(C)(C)c3ccccc32)cc1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline?
The InChIKey is AIJQBWSKDMSSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H37N/c1-46(2)39-22-10-12-24-41(39)47(42-25-13-11-23-40(42)46)38-21-9-7-19-37(38)45-36(20-15-26-43(45)47)33-28-30-34(31-29-33)48(3)44-27-14-8-18-35(44)32-16-5-4-6-17-32/h4-31H,1-3H3.
What are the key properties of N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline?
N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline has a molecular weight of 615.82 g/mol, XLogP of 11.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-4'-yl)phenyl]-N-methyl-2-phenylaniline is sourced from PubChem (CID 142480693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).