(2Z,4Z)-6-methylidene-1-[7-methyl-8-(5-methyl-5,6-dihydronaphthalen-2-yl)-6-(5-methyl-2-propylphenyl)dibenzofuran-2-yl]-1-benzazocine;1-methyl-2-(2-propylphenyl)benzene

C62H59NO — CID 143906076

IUPAC(2Z,4Z)-6-methylidene-1-[7-methyl-8-(5-methyl-5,6-dihydronaphthalen-2-yl)-6-(5-methyl-2-propylphenyl)dibenzofuran-2-yl]-1-benzazocine;1-methyl-2-(2-propylphenyl)benzene
SMILESC=C1/C=C\C=C/N(c2ccc3oc4c(-c5cc(C)ccc5CCC)c(C)c(-c5ccc6c(c5)C=CCC6C)cc4c3c2)c2ccccc21.CCCc1ccccc1-c1ccccc1C
InChIInChI=1S/C46H41NO.C16H18/c1-6-12-33-19-18-29(2)25-40(33)45-32(5)39(35-20-22-37-30(3)14-11-15-34(37)26-35)28-42-41-27-36(21-23-44(41)48-46(42)45)47-24-10-9-13-31(4)38-16-7-8-17-43(38)47;1-3-8-14-10-5-7-12-16(14)15-11-6-4-9-13(15)2/h7-11,13,15-28,30H,4,6,12,14H2,1-3,5H3;4-7,9-12H,3,8H2,1-2H3/b13-9-,24-10-;
InChIKeyNRWICGGQEKIVTJ-NEKPRHAMSA-N
MW834.16 g/mol
LogP17.86
Rot. Bonds8

About (2Z,4Z)-6-methylidene-1-[7-methyl-8-(5-methyl-5,6-dihydronaphthalen-2-yl)-6-(5-methyl-2-propylphenyl)dibenzofuran-2-yl]-1-benzazocine;1-methyl-2-(2-propylphenyl)benzene

(2Z,4Z)-6-methylidene-1-[7-methyl-8-(5-methyl-5,6-dihydronaphthalen-2-yl)-6-(5-methyl-2-propylphenyl)dibenzofuran-2-yl]-1-benzazocine;1-methyl-2-(2-propylphenyl)benzene (PubChem CID 143906076) has the molecular formula C62H59NO and a molecular weight of 834.16 g/mol. Its IUPAC name is (2Z,4Z)-6-methylidene-1-[7-methyl-8-(5-methyl-5,6-dihydronaphthalen-2-yl)-6-(5-methyl-2-propylphenyl)dibenzofuran-2-yl]-1-benzazocine;1-methyl-2-(2-propylphenyl)benzene.

Molecular Properties

Compound Name(2Z,4Z)-6-methylidene-1-[7-methyl-8-(5-methyl-5,6-dihydronaphthalen-2-yl)-6-(5-methyl-2-propylphenyl)dibenzofuran-2-yl]-1-benzazocine;1-methyl-2-(2-propylphenyl)benzene
PubChem CID143906076
Molecular FormulaC62H59NO
Molecular Weight834.16 g/mol
Exact Mass833.46
IUPAC Name(2Z,4Z)-6-methylidene-1-[7-methyl-8-(5-methyl-5,6-dihydronaphthalen-2-yl)-6-(5-methyl-2-propylphenyl)dibenzofuran-2-yl]-1-benzazocine;1-methyl-2-(2-propylphenyl)benzene
SMILESC=C1/C=C\C=C/N(c2ccc3oc4c(-c5cc(C)ccc5CCC)c(C)c(-c5ccc6c(c5)C=CCC6C)cc4c3c2)c2ccccc21.CCCc1ccccc1-c1ccccc1C
InChIInChI=1S/C46H41NO.C16H18/c1-6-12-33-19-18-29(2)25-40(33)45-32(5)39(35-20-22-37-30(3)14-11-15-34(37)26-35)28-42-41-27-36(21-23-44(41)48-46(42)45)47-24-10-9-13-31(4)38-16-7-8-17-43(38)47;1-3-8-14-10-5-7-12-16(14)15-11-6-4-9-13(15)2/h7-11,13,15-28,30H,4,6,12,14H2,1-3,5H3;4-7,9-12H,3,8H2,1-2H3/b13-9-,24-10-;
InChIKeyNRWICGGQEKIVTJ-NEKPRHAMSA-N
XLogP17.86
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.16
LogP ≤ 517.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2Z,4Z)-6-methylidene-1-[7-methyl-8-(5-methyl-5,6-dihydronaphthalen-2-yl)-6-(5-methyl-2-propylphenyl)dibenzofuran-2-yl]-1-benzazocine;1-methyl-2-(2-propylphenyl)benzene with MolForge

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Related Compounds

(2Z,4Z)-6-methylidene-1-[4-methyl-3-(2-propylphenyl)phenyl]-1-benzazocine
CID 142362996
(2Z,4Z)-1-cyclohexa-1,3-dien-1-yl-6-methylidene-7-[3-methyl-4-(2-methylphenyl)phenyl]-1-benzazocine
CID 144830878
1,6-dimethyl-1,2-dihydronaphthalene
CID 11171128
(2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran
CID 144827351
1-(2-ethylphenyl)-2,5-dimethyl-4-(2-methylphenyl)benzene;2-methyldibenzofuran;2-propyldibenzofuran
CID 143904901
(4Z,6Z)-8-[4-(3,5-dichlorophenyl)phenyl]-3-methylidene-19-oxa-8-azatetracyclo[10.7.0.02,9.013,18]nonadeca-1(12),2(9),4,6,10,13,15,17-octaene
CID 144650904
2,4-dimethyl-1-(2-propylphenyl)benzene
CID 123254969
6-(2-methylphenyl)-2-[2,4,6-trimethyl-3,5-bis[6-(2-methylphenyl)dibenzofuran-2-yl]phenyl]dibenzofuran
CID 130421072
3-[8-[9-[(2Z,4Z)-6-methylidene-1-benzazocin-1-yl]dibenzofuran-2-yl]dibenzofuran-4-yl]-N-phenyl-1H-benzimidazol-2-imine
CID 145103649
9-[2-carbazol-9-yl-8-[2-methyl-3-[3-methyl-4-(2-methylphenyl)phenyl]phenyl]dibenzofuran-4-yl]carbazole
CID 118438901
7-methyl-12-phenyl-6,18-bis(3-phenylphenyl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaene
CID 167352098
5,6-bis(ethenyl)-4-[4-[(3Z,5Z)-7-methylidene-2H-1-benzazonin-1-yl]phenyl]-21-oxa-3-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15,17,19-decaene
CID 145272856

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-methylidene-1-[7-methyl-8-(5-methyl-5,6-dihydronaphthalen-2-yl)-6-(5-methyl-2-propylphenyl)dibenzofuran-2-yl]-1-benzazocine;1-methyl-2-(2-propylphenyl)benzene?
The IUPAC name of (2Z,4Z)-6-methylidene-1-[7-methyl-8-(5-methyl-5,6-dihydronaphthalen-2-yl)-6-(5-methyl-2-propylphenyl)dibenzofuran-2-yl]-1-benzazocine;1-methyl-2-(2-propylphenyl)benzene (CID 143906076) is (2Z,4Z)-6-methylidene-1-[7-methyl-8-(5-methyl-5,6-dihydronaphthalen-2-yl)-6-(5-methyl-2-propylphenyl)dibenzofuran-2-yl]-1-benzazocine;1-methyl-2-(2-propylphenyl)benzene.
What is the SMILES notation for (2Z,4Z)-6-methylidene-1-[7-methyl-8-(5-methyl-5,6-dihydronaphthalen-2-yl)-6-(5-methyl-2-propylphenyl)dibenzofuran-2-yl]-1-benzazocine;1-methyl-2-(2-propylphenyl)benzene?
The canonical SMILES for (2Z,4Z)-6-methylidene-1-[7-methyl-8-(5-methyl-5,6-dihydronaphthalen-2-yl)-6-(5-methyl-2-propylphenyl)dibenzofuran-2-yl]-1-benzazocine;1-methyl-2-(2-propylphenyl)benzene is C=C1/C=C\C=C/N(c2ccc3oc4c(-c5cc(C)ccc5CCC)c(C)c(-c5ccc6c(c5)C=CCC6C)cc4c3c2)c2ccccc21.CCCc1ccccc1-c1ccccc1C.
What is the InChIKey of (2Z,4Z)-6-methylidene-1-[7-methyl-8-(5-methyl-5,6-dihydronaphthalen-2-yl)-6-(5-methyl-2-propylphenyl)dibenzofuran-2-yl]-1-benzazocine;1-methyl-2-(2-propylphenyl)benzene?
The InChIKey is NRWICGGQEKIVTJ-NEKPRHAMSA-N. The full InChI is InChI=1S/C46H41NO.C16H18/c1-6-12-33-19-18-29(2)25-40(33)45-32(5)39(35-20-22-37-30(3)14-11-15-34(37)26-35)28-42-41-27-36(21-23-44(41)48-46(42)45)47-24-10-9-13-31(4)38-16-7-8-17-43(38)47;1-3-8-14-10-5-7-12-16(14)15-11-6-4-9-13(15)2/h7-11,13,15-28,30H,4,6,12,14H2,1-3,5H3;4-7,9-12H,3,8H2,1-2H3/b13-9-,24-10-;.
What are the key properties of (2Z,4Z)-6-methylidene-1-[7-methyl-8-(5-methyl-5,6-dihydronaphthalen-2-yl)-6-(5-methyl-2-propylphenyl)dibenzofuran-2-yl]-1-benzazocine;1-methyl-2-(2-propylphenyl)benzene?
(2Z,4Z)-6-methylidene-1-[7-methyl-8-(5-methyl-5,6-dihydronaphthalen-2-yl)-6-(5-methyl-2-propylphenyl)dibenzofuran-2-yl]-1-benzazocine;1-methyl-2-(2-propylphenyl)benzene has a molecular weight of 834.16 g/mol, XLogP of 17.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-methylidene-1-[7-methyl-8-(5-methyl-5,6-dihydronaphthalen-2-yl)-6-(5-methyl-2-propylphenyl)dibenzofuran-2-yl]-1-benzazocine;1-methyl-2-(2-propylphenyl)benzene is sourced from PubChem (CID 143906076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).