9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine

C58H47N — CID 166508588

IUPAC9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine
SMILESCC1(C)c2cc(-c3cccc4c3-c3ccccc3C43CC4CCC3C4)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C58H47N/c1-57(2)54-35-43(48-17-11-19-53-56(48)51-16-9-10-18-52(51)58(53)37-38-20-26-44(58)34-38)25-32-49(54)50-33-31-47(36-55(50)57)59(45-27-21-41(22-28-45)39-12-5-3-6-13-39)46-29-23-42(24-30-46)40-14-7-4-8-15-40/h3-19,21-25,27-33,35-36,38,44H,20,26,34,37H2,1-2H3
InChIKeyPPTFQVKKDIEQEY-UHFFFAOYSA-N
MW758.02 g/mol
LogP15.55
Rot. Bonds6

About 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine

9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine (PubChem CID 166508588) has the molecular formula C58H47N and a molecular weight of 758.02 g/mol. Its IUPAC name is 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine
PubChem CID166508588
Molecular FormulaC58H47N
Molecular Weight758.02 g/mol
Exact Mass757.37
IUPAC Name9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine
SMILESCC1(C)c2cc(-c3cccc4c3-c3ccccc3C43CC4CCC3C4)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21
InChIInChI=1S/C58H47N/c1-57(2)54-35-43(48-17-11-19-53-56(48)51-16-9-10-18-52(51)58(53)37-38-20-26-44(58)34-38)25-32-49(54)50-33-31-47(36-55(50)57)59(45-27-21-41(22-28-45)39-12-5-3-6-13-39)46-29-23-42(24-30-46)40-14-7-4-8-15-40/h3-19,21-25,27-33,35-36,38,44H,20,26,34,37H2,1-2H3
InChIKeyPPTFQVKKDIEQEY-UHFFFAOYSA-N
XLogP15.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500758.02
LogP ≤ 515.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(3-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508775
N-(9,9-dimethylfluoren-2-yl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-amine
CID 166508635
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170217106
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenyl]aniline
CID 166508560
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-[2-(4-phenylphenyl)phenyl]phenyl]spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170218290
9,9-dimethyl-5-phenyl-N,N-bis[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 155153854
N,2-diphenyl-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)aniline
CID 166508564
N-phenyl-N-(2-phenylphenyl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508502
N-(4-phenylphenyl)-N-[(2R)-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-3'-yl]spiro[adamantane-2,9'-fluorene]-2'-amine
CID 168722805
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(9,9-diphenylfluoren-4-yl)spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 170215903
N-(4-naphthalen-1-ylphenyl)-N-phenylspiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-amine
CID 166508547
N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-2'-ylphenyl)phenanthren-2-amine
CID 166508480

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine (CID 166508588) is 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine is CC1(C)c2cc(-c3cccc4c3-c3ccccc3C43CC4CCC3C4)ccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine?
The InChIKey is PPTFQVKKDIEQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H47N/c1-57(2)54-35-43(48-17-11-19-53-56(48)51-16-9-10-18-52(51)58(53)37-38-20-26-44(58)34-38)25-32-49(54)50-33-31-47(36-55(50)57)59(45-27-21-41(22-28-45)39-12-5-3-6-13-39)46-29-23-42(24-30-46)40-14-7-4-8-15-40/h3-19,21-25,27-33,35-36,38,44H,20,26,34,37H2,1-2H3.
What are the key properties of 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine?
9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine has a molecular weight of 758.02 g/mol, XLogP of 15.55, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N,N-bis(4-phenylphenyl)-7-spiro[bicyclo[2.2.1]heptane-2,9'-fluorene]-4'-ylfluoren-2-amine is sourced from PubChem (CID 166508588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).