9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(2-spiro[cyclopentane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine

C55H43N — CID 170140908

IUPAC9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(2-spiro[cyclopentane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3ccccc3-c3cccc4c3-c3ccccc3C43CCCC3)cc21
InChIInChI=1S/C55H43N/c1-54(39-21-6-3-7-22-39)47-28-12-8-24-42(47)43-34-33-40(37-50(43)54)56(51-31-14-10-23-41(51)38-19-4-2-5-20-38)52-32-15-11-25-44(52)45-27-18-30-49-53(45)46-26-9-13-29-48(46)55(49)35-16-17-36-55/h2-15,18-34,37H,16-17,35-36H2,1H3
InChIKeyCWTNNBUGRNNYKX-UHFFFAOYSA-N
MW717.96 g/mol
LogP14.67
Rot. Bonds6

About 9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(2-spiro[cyclopentane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine

9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(2-spiro[cyclopentane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine (PubChem CID 170140908) has the molecular formula C55H43N and a molecular weight of 717.96 g/mol. Its IUPAC name is 9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(2-spiro[cyclopentane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine.

Molecular Properties

Compound Name9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(2-spiro[cyclopentane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine
PubChem CID170140908
Molecular FormulaC55H43N
Molecular Weight717.96 g/mol
Exact Mass717.34
IUPAC Name9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(2-spiro[cyclopentane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine
SMILESCC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3ccccc3-c3cccc4c3-c3ccccc3C43CCCC3)cc21
InChIInChI=1S/C55H43N/c1-54(39-21-6-3-7-22-39)47-28-12-8-24-42(47)43-34-33-40(37-50(43)54)56(51-31-14-10-23-41(51)38-19-4-2-5-20-38)52-32-15-11-25-44(52)45-27-18-30-49-53(45)46-26-9-13-29-48(46)55(49)35-16-17-36-55/h2-15,18-34,37H,16-17,35-36H2,1H3
InChIKeyCWTNNBUGRNNYKX-UHFFFAOYSA-N
XLogP14.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.96
LogP ≤ 514.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217046
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9-methyl-9-phenylfluoren-2-yl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217040
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217209
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 170135534
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(2-phenylphenyl)fluoren-2-amine
CID 171453157
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(3,4-diphenylphenyl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217297
9-methyl-N-[4-(9-methyl-9-phenylfluoren-4-yl)phenyl]-9-phenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170303937
N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-2-(9-methyl-9-phenylfluoren-2-yl)-N-[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170137215
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(2-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine
CID 170144049
N-[2-(9,9-diethylfluoren-4-yl)phenyl]-9-methyl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170140988
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-3'-amine
CID 170143737
N-[4-(3-phenylphenyl)phenyl]-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-4'-amine
CID 170117213

Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(2-spiro[cyclopentane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine?
The IUPAC name of 9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(2-spiro[cyclopentane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine (CID 170140908) is 9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(2-spiro[cyclopentane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine.
What is the SMILES notation for 9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(2-spiro[cyclopentane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine?
The canonical SMILES for 9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(2-spiro[cyclopentane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine is CC1(c2ccccc2)c2ccccc2-c2ccc(N(c3ccccc3-c3ccccc3)c3ccccc3-c3cccc4c3-c3ccccc3C43CCCC3)cc21.
What is the InChIKey of 9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(2-spiro[cyclopentane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine?
The InChIKey is CWTNNBUGRNNYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H43N/c1-54(39-21-6-3-7-22-39)47-28-12-8-24-42(47)43-34-33-40(37-50(43)54)56(51-31-14-10-23-41(51)38-19-4-2-5-20-38)52-32-15-11-25-44(52)45-27-18-30-49-53(45)46-26-9-13-29-48(46)55(49)35-16-17-36-55/h2-15,18-34,37H,16-17,35-36H2,1H3.
What are the key properties of 9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(2-spiro[cyclopentane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine?
9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(2-spiro[cyclopentane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine has a molecular weight of 717.96 g/mol, XLogP of 14.67, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-9-phenyl-N-(2-phenylphenyl)-N-(2-spiro[cyclopentane-1,9'-fluorene]-4'-ylphenyl)fluoren-2-amine is sourced from PubChem (CID 170140908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).