N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane

C41H31NO2 — CID 159282486

IUPACN-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane
SMILESC.C1=CCCC(c2ccccc2N(c2cccc3ccccc23)c2cc3c4ccccc4oc3c3oc4ccccc4c23)=C1
InChIInChI=1S/C40H27NO2.CH4/c1-2-13-26(14-3-1)28-18-6-9-21-33(28)41(34-22-12-16-27-15-4-5-17-29(27)34)35-25-32-30-19-7-10-23-36(30)42-39(32)40-38(35)31-20-8-11-24-37(31)43-40;/h1-2,4-13,15-25H,3,14H2;1H4
InChIKeyKZCFDSGCIQMCLS-UHFFFAOYSA-N
MW569.70 g/mol
LogP12.48
Rot. Bonds4

About N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane

N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane (PubChem CID 159282486) has the molecular formula C41H31NO2 and a molecular weight of 569.70 g/mol. Its IUPAC name is N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane.

Molecular Properties

Compound NameN-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane
PubChem CID159282486
Molecular FormulaC41H31NO2
Molecular Weight569.70 g/mol
Exact Mass569.24
IUPAC NameN-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane
SMILESC.C1=CCCC(c2ccccc2N(c2cccc3ccccc23)c2cc3c4ccccc4oc3c3oc4ccccc4c23)=C1
InChIInChI=1S/C40H27NO2.CH4/c1-2-13-26(14-3-1)28-18-6-9-21-33(28)41(34-22-12-16-27-15-4-5-17-29(27)34)35-25-32-30-19-7-10-23-36(30)42-39(32)40-38(35)31-20-8-11-24-37(31)43-40;/h1-2,4-13,15-25H,3,14H2;1H4
InChIKeyKZCFDSGCIQMCLS-UHFFFAOYSA-N
XLogP12.48
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.70
LogP ≤ 512.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane with MolForge

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Related Compounds

N-naphthalen-1-yl-N-(9,9'-spirobi[fluorene]-4-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine
CID 158027045
N-[4-[7-(4-cyclohexa-1,3-dien-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]phenyl]-N-phenylnaphthalen-1-amine
CID 170094690
N-[2-[2-[dibenzofuran-3-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-3-amine
CID 167087101
N-(2-dibenzofuran-2-ylphenyl)-N-naphthalen-1-ylnaphthalen-1-amine
CID 167325268
N-(2-naphthalen-1-ylphenyl)-4-phenyl-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069373
4-naphthalen-1-yl-N-[2-(4-phenylphenyl)phenyl]-N-(2-triphenylen-2-ylphenyl)dibenzofuran-1-amine
CID 177069796
2-cyclohexa-1,3-dien-1-yl-5-naphthalen-1-yl-N-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)aniline
CID 167235532
N-(2-cyclohexa-1,3-dien-1-ylphenyl)-7-phenyl-N-[4-(4-triphenylsilylphenyl)phenyl]dibenzofuran-3-amine
CID 162464906
4-(4-cyclohexa-1,3-dien-1-yl-6-phenylpyrimidin-2-yl)-N,N-bis(4-phenylphenyl)dibenzofuran-1-amine
CID 166975321
N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine
CID 167086574
4-naphthalen-1-yl-N,N-di(phenanthren-1-yl)dibenzofuran-1-amine
CID 176821012
N,N-dinaphthalen-1-ylnaphtho[1,2-b][1]benzofuran-1-amine
CID 167278045

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane?
The IUPAC name of N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane (CID 159282486) is N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane.
What is the SMILES notation for N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane?
The canonical SMILES for N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane is C.C1=CCCC(c2ccccc2N(c2cccc3ccccc23)c2cc3c4ccccc4oc3c3oc4ccccc4c23)=C1.
What is the InChIKey of N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane?
The InChIKey is KZCFDSGCIQMCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27NO2.CH4/c1-2-13-26(14-3-1)28-18-6-9-21-33(28)41(34-22-12-16-27-15-4-5-17-29(27)34)35-25-32-30-19-7-10-23-36(30)42-39(32)40-38(35)31-20-8-11-24-37(31)43-40;/h1-2,4-13,15-25H,3,14H2;1H4.
What are the key properties of N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane?
N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane has a molecular weight of 569.70 g/mol, XLogP of 12.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexa-1,3-dien-1-ylphenyl)-N-naphthalen-1-yl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4,6,8,10,12,14,16,18-nonaen-11-amine;methane is sourced from PubChem (CID 159282486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).