N-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine

C47H40N2OS — CID 163815140

IUPACN-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine
SMILESC1=CCC2Sc3cc(C4C=CC(N(c5ccc6oc7c(c6c5)C=CCC7)c5cccc6ccccc56)=CC4)ccc3N(C3=CC4CC4CC3)C2=C1
InChIInChI=1S/C47H40N2OS/c1-2-10-38-31(8-1)9-7-13-41(38)48(37-23-25-45-40(29-37)39-11-3-5-14-44(39)50-45)35-20-16-30(17-21-35)33-19-24-43-47(28-33)51-46-15-6-4-12-42(46)49(43)36-22-18-32-26-34(32)27-36/h1-4,6-13,16,19-21,23-25,27-30,32,34,46H,5,14-15,17-18,22,26H2
InChIKeyNQQXJYGCCZSVON-UHFFFAOYSA-N
MW680.92 g/mol
LogP12.75
Rot. Bonds5

About N-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine

N-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine (PubChem CID 163815140) has the molecular formula C47H40N2OS and a molecular weight of 680.92 g/mol. Its IUPAC name is N-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine.

Molecular Properties

Compound NameN-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine
PubChem CID163815140
Molecular FormulaC47H40N2OS
Molecular Weight680.92 g/mol
Exact Mass680.29
IUPAC NameN-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine
SMILESC1=CCC2Sc3cc(C4C=CC(N(c5ccc6oc7c(c6c5)C=CCC7)c5cccc6ccccc56)=CC4)ccc3N(C3=CC4CC4CC3)C2=C1
InChIInChI=1S/C47H40N2OS/c1-2-10-38-31(8-1)9-7-13-41(38)48(37-23-25-45-40(29-37)39-11-3-5-14-44(39)50-45)35-20-16-30(17-21-35)33-19-24-43-47(28-33)51-46-15-6-4-12-42(46)49(43)36-22-18-32-26-34(32)27-36/h1-4,6-13,16,19-21,23-25,27-30,32,34,46H,5,14-15,17-18,22,26H2
InChIKeyNQQXJYGCCZSVON-UHFFFAOYSA-N
XLogP12.75
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.92
LogP ≤ 512.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine with MolForge

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Related Compounds

N-cyclohexa-1,3-dien-1-yl-N-[4-[4-[4-(4-cyclohexa-2,4-dien-1-ylphenyl)-N-(naphthalen-1-ylmethyl)anilino]phenyl]cyclohexa-1,5-dien-1-yl]naphthalen-1-amine
CID 143258012
N-(6-cyclohexa-1,5-dien-1-yl-2,3-dihydrodibenzothiophen-4-yl)-N-(4-dibenzothiophen-2-ylcyclohexa-1,5-dien-1-yl)-6,7-dihydrodibenzofuran-3-amine
CID 167397781
4-cyclohexa-2,4-dien-1-yl-N-(4-dibenzofuran-2-ylcyclohexa-1,5-dien-1-yl)-N-(4-dibenzofuran-2-ylphenyl)aniline
CID 144583029
N-[3-[7-(1,2-dihydronaphthalen-2-yl)naphthalen-2-yl]phenyl]-N-naphthalen-1-yldibenzofuran-2-amine
CID 174256825
N-[4-(9,9-dimethylfluoren-2-yl)cyclohexa-1,5-dien-1-yl]-N-triphenylen-2-yldibenzofuran-4-amine
CID 144660759
10-cyclohexa-1,3-dien-1-yl-7-(8,9-dihydro-7H-benzo[g]carbazol-9-yl)-4,4a-dihydrophenoxazine
CID 134431762
N-cyclohexa-1,5-dien-1-yl-N-naphthalen-1-yl-6-(3-phenylphenyl)dibenzofuran-2-amine
CID 130240746
3-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)cyclohexa-1,5-dien-1-yl]aniline
CID 167114371
N-[6-(4-cyclohexa-2,4-dien-1-ylphenyl)-9-phenylcarbazol-3-yl]-N-naphthalen-1-yl-9-phenyl-6-(4-phenylcyclohexa-1,5-dien-1-yl)carbazol-3-amine
CID 163564194
18-[4-[4-(N-dibenzofuran-4-ylanilino)cyclohexa-2,4-dien-1-yl]phenyl]-N,N-diphenyl-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaen-5-amine
CID 122677274
N-(3-cyclohexa-1,3-dien-1-yl-4-phenanthren-9-ylphenyl)-N-(4-phenylcyclohexa-1,5-dien-1-yl)naphthalen-1-amine;N-[3-cyclohexa-1,3-dien-1-yl-4-(4-phenylphenyl)phenyl]-N-(4-phenylcyclohexa-1,5-dien-1-yl)naphthalen-1-amine;N-[3-cyclohexa-1,3-dien-1-yl-4-[4-(4-phenylphenyl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-(4-dibenzofuran-4-yl-3-phenylphenyl)-N-(4-phenylcyclohexa-1,5-dien-1-yl)naphthalen-1-amine;N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-[3-phenyl-4-(9-phenylcarbazol-3-yl)phenyl]naphthalen-1-amine;N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-[3-phenyl-4-(2-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-phenylcyclohexa-1,5-dien-1-yl)-N-[3-phenyl-4-(3-phenylphenyl)phenyl]naphthalen-1-amine;N-(4-phenylphenyl)-N-[3-phenyl-4-(1-phenylindol-4-yl)phenyl]naphthalen-1-amine
CID 157075298
N-[3-[9-(6,7-dihydrodibenzofuran-2-yl)carbazol-4-yl]phenyl]-N-(4-phenanthren-2-ylphenyl)-2-phenylaniline
CID 163703203

Frequently Asked Questions

What is the IUPAC name of N-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine?
The IUPAC name of N-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine (CID 163815140) is N-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine.
What is the SMILES notation for N-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine?
The canonical SMILES for N-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine is C1=CCC2Sc3cc(C4C=CC(N(c5ccc6oc7c(c6c5)C=CCC7)c5cccc6ccccc56)=CC4)ccc3N(C3=CC4CC4CC3)C2=C1.
What is the InChIKey of N-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine?
The InChIKey is NQQXJYGCCZSVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H40N2OS/c1-2-10-38-31(8-1)9-7-13-41(38)48(37-23-25-45-40(29-37)39-11-3-5-14-44(39)50-45)35-20-16-30(17-21-35)33-19-24-43-47(28-33)51-46-15-6-4-12-42(46)49(43)36-22-18-32-26-34(32)27-36/h1-4,6-13,16,19-21,23-25,27-30,32,34,46H,5,14-15,17-18,22,26H2.
What are the key properties of N-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine?
N-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine has a molecular weight of 680.92 g/mol, XLogP of 12.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[10-(3-bicyclo[4.1.0]hept-2-enyl)-5a,6-dihydrophenothiazin-3-yl]cyclohexa-1,5-dien-1-yl]-N-naphthalen-1-yl-6,7-dihydrodibenzofuran-2-amine is sourced from PubChem (CID 163815140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).