N-(3-phenylphenyl)-N-(7-phenylspiro[2,3-dihydrofluorene-9,9'-fluorene]-2'-yl)-10H-cyclohepta[b][1]benzofuran-1-amine

C56H39NO — CID 139297509

IUPACN-(3-phenylphenyl)-N-(7-phenylspiro[2,3-dihydrofluorene-9,9'-fluorene]-2'-yl)-10H-cyclohepta[b][1]benzofuran-1-amine
SMILESC1=CCc2c(oc3cccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)C4(C6=CCCC=C6c6ccc(-c7ccccc7)cc64)c4ccccc4-5)c23)C=C1
InChIInChI=1S/C56H39NO/c1-4-16-37(17-5-1)39-20-14-21-41(34-39)57(52-27-15-29-54-55(52)47-24-8-3-9-28-53(47)58-54)42-31-33-46-44-23-11-13-26-49(44)56(51(46)36-42)48-25-12-10-22-43(48)45-32-30-40(35-50(45)56)38-18-6-2-7-19-38/h1-9,11,13-23,25-36H,10,12,24H2
InChIKeyIXPBKBKTWQLUDU-UHFFFAOYSA-N
MW741.93 g/mol
LogP14.79
Rot. Bonds5

About N-(3-phenylphenyl)-N-(7-phenylspiro[2,3-dihydrofluorene-9,9'-fluorene]-2'-yl)-10H-cyclohepta[b][1]benzofuran-1-amine

N-(3-phenylphenyl)-N-(7-phenylspiro[2,3-dihydrofluorene-9,9'-fluorene]-2'-yl)-10H-cyclohepta[b][1]benzofuran-1-amine (PubChem CID 139297509) has the molecular formula C56H39NO and a molecular weight of 741.93 g/mol. Its IUPAC name is N-(3-phenylphenyl)-N-(7-phenylspiro[2,3-dihydrofluorene-9,9'-fluorene]-2'-yl)-10H-cyclohepta[b][1]benzofuran-1-amine.

Molecular Properties

Compound NameN-(3-phenylphenyl)-N-(7-phenylspiro[2,3-dihydrofluorene-9,9'-fluorene]-2'-yl)-10H-cyclohepta[b][1]benzofuran-1-amine
PubChem CID139297509
Molecular FormulaC56H39NO
Molecular Weight741.93 g/mol
Exact Mass741.30
IUPAC NameN-(3-phenylphenyl)-N-(7-phenylspiro[2,3-dihydrofluorene-9,9'-fluorene]-2'-yl)-10H-cyclohepta[b][1]benzofuran-1-amine
SMILESC1=CCc2c(oc3cccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)C4(C6=CCCC=C6c6ccc(-c7ccccc7)cc64)c4ccccc4-5)c23)C=C1
InChIInChI=1S/C56H39NO/c1-4-16-37(17-5-1)39-20-14-21-41(34-39)57(52-27-15-29-54-55(52)47-24-8-3-9-28-53(47)58-54)42-31-33-46-44-23-11-13-26-49(44)56(51(46)36-42)48-25-12-10-22-43(48)45-32-30-40(35-50(45)56)38-18-6-2-7-19-38/h1-9,11,13-23,25-36H,10,12,24H2
InChIKeyIXPBKBKTWQLUDU-UHFFFAOYSA-N
XLogP14.79
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.93
LogP ≤ 514.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylphenyl)-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717049
N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine
CID 126542786
N-(4-phenylphenyl)-N-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717047
2-[2'-(9,9'-spirobi[fluorene]-2-yl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-yl]-9,9'-spirobi[fluorene]
CID 144602980
(7Z,9Z)-N-(9,9-diphenylfluoren-2-yl)-6-methylidene-N-(4-phenylphenyl)spiro[11H-benzo[9]annulene-5,9'-xanthene]-1-amine
CID 118450072
N-[2-(4-phenylphenyl)phenyl]-N-(3-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477499
N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-ylphenyl)dibenzofuran-1-amine
CID 130264392
N,N-bis[3-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-(2-phenylphenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 157078177
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-phenylspiro[2,3-dihydrofluorene-9,8'-indeno[1,2-a]oxanthrene]-4'-amine
CID 138582046
N-naphthalen-1-yl-N-(2-phenyl-9,9'-spirobi[fluorene]-2'-yl)dibenzofuran-1-amine
CID 138717052
9,9-dimethyl-N,N-bis(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine;9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 158705063
N-(2-phenylphenyl)-N-[3-(4-phenylphenyl)phenyl]spiro[fluorene-9,9'-xanthene]-2-amine
CID 167177160

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylphenyl)-N-(7-phenylspiro[2,3-dihydrofluorene-9,9'-fluorene]-2'-yl)-10H-cyclohepta[b][1]benzofuran-1-amine?
The IUPAC name of N-(3-phenylphenyl)-N-(7-phenylspiro[2,3-dihydrofluorene-9,9'-fluorene]-2'-yl)-10H-cyclohepta[b][1]benzofuran-1-amine (CID 139297509) is N-(3-phenylphenyl)-N-(7-phenylspiro[2,3-dihydrofluorene-9,9'-fluorene]-2'-yl)-10H-cyclohepta[b][1]benzofuran-1-amine.
What is the SMILES notation for N-(3-phenylphenyl)-N-(7-phenylspiro[2,3-dihydrofluorene-9,9'-fluorene]-2'-yl)-10H-cyclohepta[b][1]benzofuran-1-amine?
The canonical SMILES for N-(3-phenylphenyl)-N-(7-phenylspiro[2,3-dihydrofluorene-9,9'-fluorene]-2'-yl)-10H-cyclohepta[b][1]benzofuran-1-amine is C1=CCc2c(oc3cccc(N(c4cccc(-c5ccccc5)c4)c4ccc5c(c4)C4(C6=CCCC=C6c6ccc(-c7ccccc7)cc64)c4ccccc4-5)c23)C=C1.
What is the InChIKey of N-(3-phenylphenyl)-N-(7-phenylspiro[2,3-dihydrofluorene-9,9'-fluorene]-2'-yl)-10H-cyclohepta[b][1]benzofuran-1-amine?
The InChIKey is IXPBKBKTWQLUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H39NO/c1-4-16-37(17-5-1)39-20-14-21-41(34-39)57(52-27-15-29-54-55(52)47-24-8-3-9-28-53(47)58-54)42-31-33-46-44-23-11-13-26-49(44)56(51(46)36-42)48-25-12-10-22-43(48)45-32-30-40(35-50(45)56)38-18-6-2-7-19-38/h1-9,11,13-23,25-36H,10,12,24H2.
What are the key properties of N-(3-phenylphenyl)-N-(7-phenylspiro[2,3-dihydrofluorene-9,9'-fluorene]-2'-yl)-10H-cyclohepta[b][1]benzofuran-1-amine?
N-(3-phenylphenyl)-N-(7-phenylspiro[2,3-dihydrofluorene-9,9'-fluorene]-2'-yl)-10H-cyclohepta[b][1]benzofuran-1-amine has a molecular weight of 741.93 g/mol, XLogP of 14.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylphenyl)-N-(7-phenylspiro[2,3-dihydrofluorene-9,9'-fluorene]-2'-yl)-10H-cyclohepta[b][1]benzofuran-1-amine is sourced from PubChem (CID 139297509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).