N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-1-yldibenzofuran-3-amine

C57H41NO — CID 168812017

IUPACN-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-1-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)cc1C21c2ccc(C3CCCCC3)cc2-c2cccc3cccc1c23
InChIInChI=1S/C57H41NO/c1-2-13-36(14-3-1)39-27-32-50-48(33-39)47-22-10-17-38-18-11-24-51(56(38)47)57(50)49-23-8-6-20-43(49)44-30-28-40(34-52(44)57)58(53-25-12-16-37-15-4-5-19-42(37)53)41-29-31-46-45-21-7-9-26-54(45)59-55(46)35-41/h4-12,15-36H,1-3,13-14H2
InChIKeyJHGWSZHDFPNTRP-UHFFFAOYSA-N
MW755.96 g/mol
LogP15.75
Rot. Bonds4

About N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-1-yldibenzofuran-3-amine

N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-1-yldibenzofuran-3-amine (PubChem CID 168812017) has the molecular formula C57H41NO and a molecular weight of 755.96 g/mol. Its IUPAC name is N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-1-yldibenzofuran-3-amine.

Molecular Properties

Compound NameN-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-1-yldibenzofuran-3-amine
PubChem CID168812017
Molecular FormulaC57H41NO
Molecular Weight755.96 g/mol
Exact Mass755.32
IUPAC NameN-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-1-yldibenzofuran-3-amine
SMILESc1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)cc1C21c2ccc(C3CCCCC3)cc2-c2cccc3cccc1c23
InChIInChI=1S/C57H41NO/c1-2-13-36(14-3-1)39-27-32-50-48(33-39)47-22-10-17-38-18-11-24-51(56(38)47)57(50)49-23-8-6-20-43(49)44-30-28-40(34-52(44)57)58(53-25-12-16-37-15-4-5-19-42(37)53)41-29-31-46-45-21-7-9-26-54(45)59-55(46)35-41/h4-12,15-36H,1-3,13-14H2
InChIKeyJHGWSZHDFPNTRP-UHFFFAOYSA-N
XLogP15.75
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.96
LogP ≤ 515.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-naphthalen-1-yl-N-(3'-phenyl-7,7'-spirobi[benzo[a]phenalene]-9'-yl)dibenzofuran-3-amine
CID 164974952
N-naphthalen-1-yl-N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)dibenzofuran-3-amine
CID 168811913
N-naphthalen-1-yl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-2'-yldibenzofuran-3-amine
CID 164793860
N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzofuran-3-amine
CID 164990036
N-(2-dibenzofuran-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-amine
CID 176583281
2',7'-dicyclohexyl-N-(2-dibenzofuran-1-ylphenyl)-N-spiro[fluorene-9,9'-thioxanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 174286785
N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N,9-diphenylcarbazol-2-amine
CID 168811896
6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-amine
CID 168812120
N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-2-yl-9-phenylcarbazol-2-amine
CID 168812030
N-[2',7'-bis(1-deuteriocyclopentyl)-9,9'-spirobi[fluorene]-4-yl]-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 169286052
N-(6-naphthalen-1-ylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-(2-phenylphenyl)dibenzofuran-3-amine
CID 168812212
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine
CID 170302819

Frequently Asked Questions

What is the IUPAC name of N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-1-yldibenzofuran-3-amine?
The IUPAC name of N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-1-yldibenzofuran-3-amine (CID 168812017) is N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-1-yldibenzofuran-3-amine.
What is the SMILES notation for N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-1-yldibenzofuran-3-amine?
The canonical SMILES for N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-1-yldibenzofuran-3-amine is c1ccc2c(c1)-c1ccc(N(c3ccc4c(c3)oc3ccccc34)c3cccc4ccccc34)cc1C21c2ccc(C3CCCCC3)cc2-c2cccc3cccc1c23.
What is the InChIKey of N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-1-yldibenzofuran-3-amine?
The InChIKey is JHGWSZHDFPNTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H41NO/c1-2-13-36(14-3-1)39-27-32-50-48(33-39)47-22-10-17-38-18-11-24-51(56(38)47)57(50)49-23-8-6-20-43(49)44-30-28-40(34-52(44)57)58(53-25-12-16-37-15-4-5-19-42(37)53)41-29-31-46-45-21-7-9-26-54(45)59-55(46)35-41/h4-12,15-36H,1-3,13-14H2.
What are the key properties of N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-1-yldibenzofuran-3-amine?
N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-1-yldibenzofuran-3-amine has a molecular weight of 755.96 g/mol, XLogP of 15.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10-cyclohexylspiro[benzo[a]phenalene-7,9'-fluorene]-2'-yl)-N-naphthalen-1-yldibenzofuran-3-amine is sourced from PubChem (CID 168812017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).