N-(4-cyclohexylphenyl)-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-1-amine

C41H45NO — CID 170129496

IUPACN-(4-cyclohexylphenyl)-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-1-amine
SMILESCC1CC2CC(C1)CC(C)(c1ccc(N(c3ccc(C4CCCCC4)cc3)c3cccc4oc5ccccc5c34)cc1)C2
InChIInChI=1S/C41H45NO/c1-28-23-29-25-30(24-28)27-41(2,26-29)33-17-21-35(22-18-33)42(34-19-15-32(16-20-34)31-9-4-3-5-10-31)37-12-8-14-39-40(37)36-11-6-7-13-38(36)43-39/h6-8,11-22,28-31H,3-5,9-10,23-27H2,1-2H3
InChIKeyAVGRRKJLGZVXAM-UHFFFAOYSA-N
MW567.82 g/mol
LogP12.21
Rot. Bonds5

About N-(4-cyclohexylphenyl)-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-1-amine

N-(4-cyclohexylphenyl)-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-1-amine (PubChem CID 170129496) has the molecular formula C41H45NO and a molecular weight of 567.82 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-1-amine.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-1-amine
PubChem CID170129496
Molecular FormulaC41H45NO
Molecular Weight567.82 g/mol
Exact Mass567.35
IUPAC NameN-(4-cyclohexylphenyl)-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-1-amine
SMILESCC1CC2CC(C1)CC(C)(c1ccc(N(c3ccc(C4CCCCC4)cc3)c3cccc4oc5ccccc5c34)cc1)C2
InChIInChI=1S/C41H45NO/c1-28-23-29-25-30(24-28)27-41(2,26-29)33-17-21-35(22-18-33)42(34-19-15-32(16-20-34)31-9-4-3-5-10-31)37-12-8-14-39-40(37)36-11-6-7-13-38(36)43-39/h6-8,11-22,28-31H,3-5,9-10,23-27H2,1-2H3
InChIKeyAVGRRKJLGZVXAM-UHFFFAOYSA-N
XLogP12.21
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.82
LogP ≤ 512.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-cyclohexylphenyl)-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-1-amine with MolForge

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Related Compounds

N-(4-cyclohexylphenyl)-N-[4-[2-[4-(N-phenylanilino)phenyl]-2-bicyclo[2.2.1]heptanyl]phenyl]dibenzofuran-1-amine
CID 168810513
3-N-dibenzofuran-3-yl-1-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-3-N-phenyl-1-N-(4-phenylphenyl)benzene-1,3-diamine
CID 155421758
N-(4-cyclohexylphenyl)-N-[3-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170129564
N,N-bis(4-cyclohexylphenyl)dibenzofuran-1-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-3-amine;N,N-bis(4-cyclohexylphenyl)dibenzothiophen-4-amine
CID 160564474
N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-4-phenyl-N-[4-[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]phenyl]aniline
CID 155421805
N-[4-(1-adamantyl)phenyl]-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]-4-(4-phenylphenyl)aniline
CID 170129620
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
7-(1-adamantyl)-N-(4-cyclohexylphenyl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine;7-(1-adamantyl)-N-(4-cyclohexylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine;7-(1-adamantyl)-N-(4-cyclohexylphenyl)-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 158527340
N-[4-(1-adamantyl)phenyl]-N-(4-cyclohexylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 159219718
N-(7-cyclohexyl-9,9-dimethylfluoren-2-yl)-N-[4-(4-cyclohexylphenyl)phenyl]dibenzofuran-4-amine
CID 165022366
N-dibenzofuran-1-yl-9,9-dimethyl-N-[4-(3-tetracyclo[5.2.1.03,8.05,8]decanyl)phenyl]spiro[anthracene-10,9'-xanthene]-2'-amine
CID 163739160
9-N-[4-(1-adamantyl)phenyl]-1-N,1-N-diphenyl-9-N-(4-phenylphenyl)dibenzofuran-1,9-diamine
CID 164843683

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-1-amine?
The IUPAC name of N-(4-cyclohexylphenyl)-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-1-amine (CID 170129496) is N-(4-cyclohexylphenyl)-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-1-amine.
What is the SMILES notation for N-(4-cyclohexylphenyl)-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-1-amine?
The canonical SMILES for N-(4-cyclohexylphenyl)-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-1-amine is CC1CC2CC(C1)CC(C)(c1ccc(N(c3ccc(C4CCCCC4)cc3)c3cccc4oc5ccccc5c34)cc1)C2.
What is the InChIKey of N-(4-cyclohexylphenyl)-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-1-amine?
The InChIKey is AVGRRKJLGZVXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H45NO/c1-28-23-29-25-30(24-28)27-41(2,26-29)33-17-21-35(22-18-33)42(34-19-15-32(16-20-34)31-9-4-3-5-10-31)37-12-8-14-39-40(37)36-11-6-7-13-38(36)43-39/h6-8,11-22,28-31H,3-5,9-10,23-27H2,1-2H3.
What are the key properties of N-(4-cyclohexylphenyl)-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-1-amine?
N-(4-cyclohexylphenyl)-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-1-amine has a molecular weight of 567.82 g/mol, XLogP of 12.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-N-[4-(3,7-dimethyl-3-bicyclo[3.3.1]nonanyl)phenyl]dibenzofuran-1-amine is sourced from PubChem (CID 170129496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).