N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine

C51H49NO — CID 165022366

IUPACN-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine
SMILESCC1(C)c2cc(C3CCCCC3)ccc2-c2ccc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C51H49NO/c1-51(2)46-32-39(35-14-7-4-8-15-35)26-30-42(46)43-31-29-41(33-47(43)51)52(48-18-11-17-45-44-16-9-10-19-49(44)53-50(45)48)40-27-24-38(25-28-40)37-22-20-36(21-23-37)34-12-5-3-6-13-34/h9-11,16-35H,3-8,12-15H2,1-2H3
InChIKeyLUVZEHQXJKOBFA-UHFFFAOYSA-N
MW691.96 g/mol
LogP15.12
Rot. Bonds6

About N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine

N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine (PubChem CID 165022366) has the molecular formula C51H49NO and a molecular weight of 691.96 g/mol. Its IUPAC name is N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine.

Molecular Properties

Compound NameN-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine
PubChem CID165022366
Molecular FormulaC51H49NO
Molecular Weight691.96 g/mol
Exact Mass691.38
IUPAC NameN-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine
SMILESCC1(C)c2cc(C3CCCCC3)ccc2-c2ccc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)c3cccc4c3oc3ccccc34)cc21
InChIInChI=1S/C51H49NO/c1-51(2)46-32-39(35-14-7-4-8-15-35)26-30-42(46)43-31-29-41(33-47(43)51)52(48-18-11-17-45-44-16-9-10-19-49(44)53-50(45)48)40-27-24-38(25-28-40)37-22-20-36(21-23-37)34-12-5-3-6-13-34/h9-11,16-35H,3-8,12-15H2,1-2H3
InChIKeyLUVZEHQXJKOBFA-UHFFFAOYSA-N
XLogP15.12
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.96
LogP ≤ 515.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-tetraphenylen-2-yldibenzofuran-4-amine
CID 139298060
N-[4-(4-cyclohexylphenyl)phenyl]-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 165384788
7-cyclohexyl-9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285409
N-dibenzofuran-4-yl-12,12-dimethyl-N-(4-naphthalen-2-ylphenyl)fluoreno[1,2-b][1]benzofuran-2-amine
CID 164764699
N-[9,9-dimethyl-5-(2-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 138724001
9-N,15-N-bis(4-cyclohexylphenyl)-9-N,15-N-di(dibenzofuran-4-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-9,15-diamine
CID 90263250
9,9-dimethyl-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]-3-ylphenyl)fluoren-2-amine;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-3-yldibenzofuran-4-amine
CID 159624894
6-cyclohexyl-N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-phenyldibenzofuran-4-amine
CID 90139832
9,9-dimethyl-N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)fluoren-2-amine;methane;N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yldibenzofuran-4-amine;N-(4-phenylphenyl)-N-(4-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylphenyl)dibenzofuran-4-amine
CID 162207264
20-N-[4-[4-[dibenzofuran-4-yl-[20-(N-dibenzofuran-4-ylanilino)-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-4-yl]amino]phenyl]phenyl]-4-N,20-N-bis(9,9-dimethylfluoren-2-yl)-4-N-phenyl-12-oxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene-4,20-diamine
CID 146526881
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 170302895
6-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)dibenzofuran-4-amine
CID 165082497

Frequently Asked Questions

What is the IUPAC name of N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine?
The IUPAC name of N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine (CID 165022366) is N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine.
What is the SMILES notation for N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine?
The canonical SMILES for N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine is CC1(C)c2cc(C3CCCCC3)ccc2-c2ccc(N(c3ccc(-c4ccc(C5CCCCC5)cc4)cc3)c3cccc4c3oc3ccccc34)cc21.
What is the InChIKey of N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine?
The InChIKey is LUVZEHQXJKOBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H49NO/c1-51(2)46-32-39(35-14-7-4-8-15-35)26-30-42(46)43-31-29-41(33-47(43)51)52(48-18-11-17-45-44-16-9-10-19-49(44)53-50(45)48)40-27-24-38(25-28-40)37-22-20-36(21-23-37)34-12-5-3-6-13-34/h9-11,16-35H,3-8,12-15H2,1-2H3.
What are the key properties of N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine?
N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine has a molecular weight of 691.96 g/mol, XLogP of 15.12, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine is sourced from PubChem (CID 165022366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).