1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-4-amine

C53H43NO — CID 164774405

IUPAC1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3c(-c4cccc5ccccc45)ccc4ccccc34)c3ccc(C4CCCCC4)c4c3oc3ccccc34)ccc21
InChIInChI=1S/C53H43NO/c1-53(2)46-25-12-10-22-42(46)45-33-37(28-31-47(45)53)54(48-32-30-39(35-15-4-3-5-16-35)50-44-23-11-13-26-49(44)55-52(48)50)51-40-21-9-7-18-36(40)27-29-43(51)41-24-14-19-34-17-6-8-20-38(34)41/h6-14,17-33,35H,3-5,15-16H2,1-2H3
InChIKeyOWGISCZQGRBDIF-UHFFFAOYSA-N
MW709.93 g/mol
LogP15.38
Rot. Bonds5

About 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-4-amine

1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-4-amine (PubChem CID 164774405) has the molecular formula C53H43NO and a molecular weight of 709.93 g/mol. Its IUPAC name is 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-4-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-4-amine
PubChem CID164774405
Molecular FormulaC53H43NO
Molecular Weight709.93 g/mol
Exact Mass709.33
IUPAC Name1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-4-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3c(-c4cccc5ccccc45)ccc4ccccc34)c3ccc(C4CCCCC4)c4c3oc3ccccc34)ccc21
InChIInChI=1S/C53H43NO/c1-53(2)46-25-12-10-22-42(46)45-33-37(28-31-47(45)53)54(48-32-30-39(35-15-4-3-5-16-35)50-44-23-11-13-26-49(44)55-52(48)50)51-40-21-9-7-18-36(40)27-29-43(51)41-24-14-19-34-17-6-8-20-38(34)41/h6-14,17-33,35H,3-5,15-16H2,1-2H3
InChIKeyOWGISCZQGRBDIF-UHFFFAOYSA-N
XLogP15.38
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.93
LogP ≤ 515.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]dibenzofuran-4-amine
CID 164774372
1-cyclohexyl-N-(2-dibenzofuran-3-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-3-yl)dibenzofuran-4-amine;6-cyclohexyl-N-(2-dibenzofuran-3-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-2-yl)dibenzofuran-3-amine;7-cyclohexyl-N-(2-dibenzofuran-3-ylnaphthalen-1-yl)-N-(9,9-dimethylfluoren-3-yl)-9,9-dimethylfluoren-2-amine
CID 164954415
N-[4-(6-cyclohexyldibenzofuran-4-yl)phenyl]-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine;1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-4-amine;N-[4-(6-cyclohexyl-9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine
CID 165030567
N-(9,9-dimethylfluoren-2-yl)-N,6-dinaphthalen-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170536433
7-cyclohexyl-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylphenyl)fluoren-2-amine
CID 165060417
N-(9,9-dimethylfluoren-3-yl)-N-naphthalen-1-yldibenzofuran-4-amine
CID 118405712
2-(8-cyclohexylnaphthalen-1-yl)-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 170302895
8-cyclohexyl-N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine;N-(8-cyclohexyl-1-naphthalen-1-ylnaphthalen-2-yl)-N-(2,6-diphenylphenyl)dibenzofuran-3-amine;4-(4-cyclohexylphenyl)-N-(9,9-dimethylfluoren-3-yl)-N-(1-naphthalen-1-ylnaphthalen-2-yl)dibenzofuran-2-amine
CID 164984159
N-[4-(6-cyclohexyldibenzofuran-4-yl)phenyl]-9,9-dimethyl-N-(1-naphthalen-1-ylnaphthalen-2-yl)fluoren-3-amine;N-(4-cyclohexylphenyl)-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine;N-[4-(4-cyclohexylphenyl)phenyl]-N-[1-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-9,9-dimethylfluoren-3-amine
CID 165054595
N-(9,9-dimethylfluoren-2-yl)-1-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-2-amine
CID 177280598
N-[2-(8-cyclohexylnaphthalen-1-yl)phenyl]-N-[2-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-3-amine
CID 170302819
N-(6-cyclohexylnaphthalen-2-yl)-9,9-dimethyl-N-(2-naphthalen-1-ylnaphthalen-1-yl)fluoren-2-amine;N-(4-cyclohexylphenyl)-N-[4-(4-cyclohexylphenyl)phenyl]-2-naphthalen-1-ylnaphthalen-1-amine;N-(4-cyclohexylphenyl)-9,9-dimethyl-N-(2-naphthalen-1-ylnaphthalen-1-yl)fluoren-2-amine
CID 164980542

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-4-amine?
The IUPAC name of 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-4-amine (CID 164774405) is 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-4-amine.
What is the SMILES notation for 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-4-amine?
The canonical SMILES for 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-4-amine is CC1(C)c2ccccc2-c2cc(N(c3c(-c4cccc5ccccc45)ccc4ccccc34)c3ccc(C4CCCCC4)c4c3oc3ccccc34)ccc21.
What is the InChIKey of 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-4-amine?
The InChIKey is OWGISCZQGRBDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H43NO/c1-53(2)46-25-12-10-22-42(46)45-33-37(28-31-47(45)53)54(48-32-30-39(35-15-4-3-5-16-35)50-44-23-11-13-26-49(44)55-52(48)50)51-40-21-9-7-18-36(40)27-29-43(51)41-24-14-19-34-17-6-8-20-38(34)41/h6-14,17-33,35H,3-5,15-16H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-4-amine?
1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-4-amine has a molecular weight of 709.93 g/mol, XLogP of 15.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(9,9-dimethylfluoren-3-yl)-N-(2-naphthalen-1-ylnaphthalen-1-yl)dibenzofuran-4-amine is sourced from PubChem (CID 164774405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).