N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine

C58H43N — CID 170215799

IUPACN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)C4(CCc6ccccc64)c4ccccc4-5)cc3)c21
InChIInChI=1S/C58H43N/c1-57(2)53-20-9-6-16-49(53)51-18-11-17-47(56(51)57)40-26-30-45(31-27-40)59(44-28-24-39(25-29-44)43-23-22-38-12-3-4-14-42(38)36-43)46-32-33-50-48-15-7-10-21-54(48)58(55(50)37-46)35-34-41-13-5-8-19-52(41)58/h3-33,36-37H,34-35H2,1-2H3
InChIKeyXNQQISAKVOUZCP-UHFFFAOYSA-N
MW753.99 g/mol
LogP15.21
Rot. Bonds5

About N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine

N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine (PubChem CID 170215799) has the molecular formula C58H43N and a molecular weight of 753.99 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
PubChem CID170215799
Molecular FormulaC58H43N
Molecular Weight753.99 g/mol
Exact Mass753.34
IUPAC NameN-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)C4(CCc6ccccc64)c4ccccc4-5)cc3)c21
InChIInChI=1S/C58H43N/c1-57(2)53-20-9-6-16-49(53)51-18-11-17-47(56(51)57)40-26-30-45(31-27-40)59(44-28-24-39(25-29-44)43-23-22-38-12-3-4-14-42(38)36-43)46-32-33-50-48-15-7-10-21-54(48)58(55(50)37-46)35-34-41-13-5-8-19-52(41)58/h3-33,36-37H,34-35H2,1-2H3
InChIKeyXNQQISAKVOUZCP-UHFFFAOYSA-N
XLogP15.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.99
LogP ≤ 515.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170217849
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(4-phenanthren-9-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170217847
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-[4-(3-naphthalen-2-ylphenyl)phenyl]fluoren-2-amine
CID 166565837
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170217828
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-3-naphthalen-2-yl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 167324283
N-(9,9-dimethylfluoren-2-yl)-N-[2-(9,9-dimethylfluoren-1-yl)phenyl]spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170217336
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]naphthalen-2-amine
CID 129085267
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphtho[1,2-b][1]benzothiol-10-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170217273
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-naphtho[1,2-b][1]benzothiol-7-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine
CID 170215780
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(9-methyl-9-phenylfluoren-2-yl)phenyl]-4-naphthalen-2-ylaniline
CID 170215627
9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 166565824
N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethyl-N-[4-[4-(3-naphthalen-2-ylphenyl)phenyl]phenyl]fluoren-2-amine
CID 166566247

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine (CID 170215799) is N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cccc(-c3ccc(N(c4ccc(-c5ccc6ccccc6c5)cc4)c4ccc5c(c4)C4(CCc6ccccc64)c4ccccc4-5)cc3)c21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine?
The InChIKey is XNQQISAKVOUZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H43N/c1-57(2)53-20-9-6-16-49(53)51-18-11-17-47(56(51)57)40-26-30-45(31-27-40)59(44-28-24-39(25-29-44)43-23-22-38-12-3-4-14-42(38)36-43)46-32-33-50-48-15-7-10-21-54(48)58(55(50)37-46)35-34-41-13-5-8-19-52(41)58/h3-33,36-37H,34-35H2,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine?
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine has a molecular weight of 753.99 g/mol, XLogP of 15.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)spiro[1,2-dihydroindene-3,9'-fluorene]-2'-amine is sourced from PubChem (CID 170215799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).