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

C57H45NO — CID 170216501

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)c3)c21
InChIInChI=1S/C57H45NO/c1-56(2)49-23-7-4-18-45(49)47-22-13-21-43(55(47)56)38-15-12-16-40(35-38)58(41-31-32-46-44-17-5-8-24-50(44)57(51(46)36-41)33-10-3-11-34-57)39-29-27-37(28-30-39)42-20-14-26-53-54(42)48-19-6-9-25-52(48)59-53/h4-9,12-32,35-36H,3,10-11,33-34H2,1-2H3
InChIKeyWKLVZUYZFLMGBY-UHFFFAOYSA-N
MW759.99 g/mol
LogP15.93
Rot. Bonds5

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

N-(4-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine (PubChem CID 170216501) has the molecular formula C57H45NO and a molecular weight of 759.99 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
PubChem CID170216501
Molecular FormulaC57H45NO
Molecular Weight759.99 g/mol
Exact Mass759.35
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)c3)c21
InChIInChI=1S/C57H45NO/c1-56(2)49-23-7-4-18-45(49)47-22-13-21-43(55(47)56)38-15-12-16-40(35-38)58(41-31-32-46-44-17-5-8-24-50(44)57(51(46)36-41)33-10-3-11-34-57)39-29-27-37(28-30-39)42-20-14-26-53-54(42)48-19-6-9-25-52(48)59-53/h4-9,12-32,35-36H,3,10-11,33-34H2,1-2H3
InChIKeyWKLVZUYZFLMGBY-UHFFFAOYSA-N
XLogP15.93
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.99
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217892
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-spiro[cyclopentane-1,9'-fluorene]-2'-yldibenzofuran-4-amine
CID 170216091
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170216024
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217158
N-[4-(9,9-dimethylfluoren-1-yl)phenyl]-N-naphthalen-1-ylspiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170216061
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-N-[2-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170216462
N-[3-(9,9-dimethylfluoren-1-yl)phenyl]-6,6,9,9-tetramethyl-N-(4-phenylphenyl)spiro[7,8-dihydrobenzo[b]fluorene-11,1'-cyclohexane]-2-amine
CID 169029783
N-(9,9-dimethylfluoren-2-yl)-N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170217448
N-[4-[2-(9,9-dimethylfluoren-1-yl)phenyl]phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170218075
N-[2-(9,9-dimethylfluoren-2-yl)phenyl]-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-amine
CID 170216369
N-(4-dibenzofuran-3-ylphenyl)-3-(9,9-dimethylfluoren-1-yl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]aniline
CID 162510720
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-N-(2-phenylphenyl)spiro[cyclohexane-1,9'-fluorene]-2'-amine
CID 170217209

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine (CID 170216501) is N-(4-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine is CC1(C)c2ccccc2-c2cccc(-c3cccc(N(c4ccc(-c5cccc6oc7ccccc7c56)cc4)c4ccc5c(c4)C4(CCCCC4)c4ccccc4-5)c3)c21.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine?
The InChIKey is WKLVZUYZFLMGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H45NO/c1-56(2)49-23-7-4-18-45(49)47-22-13-21-43(55(47)56)38-15-12-16-40(35-38)58(41-31-32-46-44-17-5-8-24-50(44)57(51(46)36-41)33-10-3-11-34-57)39-29-27-37(28-30-39)42-20-14-26-53-54(42)48-19-6-9-25-52(48)59-53/h4-9,12-32,35-36H,3,10-11,33-34H2,1-2H3.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine?
N-(4-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine has a molecular weight of 759.99 g/mol, XLogP of 15.93, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-[3-(9,9-dimethylfluoren-1-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-amine is sourced from PubChem (CID 170216501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).