(2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran

C60H45NO2 — CID 144827351

IUPAC(2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran
SMILESC=C1/C=C\C=C/N(c2ccccc2)c2ccc(-c3ccccc3)cc21.C=C1/C=C\C=C/Oc2c1cccc2-c1ccccc1.c1ccc(-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C24H19N.C18H12O.C18H14O/c1-19-10-8-9-17-25(22-13-6-3-7-14-22)24-16-15-21(18-23(19)24)20-11-4-2-5-12-20;1-2-6-13(7-3-1)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19-18;1-14-8-5-6-13-19-18-16(14)11-7-12-17(18)15-9-3-2-4-10-15/h2-18H,1H2;1-12H;2-13H,1H2/b10-8-,17-9-;;8-5-,13-6-
InChIKeyRXMPCQJAJNNBBM-VNAKWQMLSA-N
MW812.03 g/mol
LogP16.67
Rot. Bonds4

About (2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran

(2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran (PubChem CID 144827351) has the molecular formula C60H45NO2 and a molecular weight of 812.03 g/mol. Its IUPAC name is (2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran.

Molecular Properties

Compound Name(2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran
PubChem CID144827351
Molecular FormulaC60H45NO2
Molecular Weight812.03 g/mol
Exact Mass811.35
IUPAC Name(2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran
SMILESC=C1/C=C\C=C/N(c2ccccc2)c2ccc(-c3ccccc3)cc21.C=C1/C=C\C=C/Oc2c1cccc2-c1ccccc1.c1ccc(-c2ccc3oc4ccccc4c3c2)cc1
InChIInChI=1S/C24H19N.C18H12O.C18H14O/c1-19-10-8-9-17-25(22-13-6-3-7-14-22)24-16-15-21(18-23(19)24)20-11-4-2-5-12-20;1-2-6-13(7-3-1)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19-18;1-14-8-5-6-13-19-18-16(14)11-7-12-17(18)15-9-3-2-4-10-15/h2-18H,1H2;1-12H;2-13H,1H2/b10-8-,17-9-;;8-5-,13-6-
InChIKeyRXMPCQJAJNNBBM-VNAKWQMLSA-N
XLogP16.67
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500812.03
LogP ≤ 516.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;6-[2-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazol-9-yl]benzene-1,2,3,4,5-pentol
CID 176936679
(3Z,5Z)-1-[3,5-bis(8-phenyldibenzofuran-2-yl)phenyl]-7-methylidene-2H-1-benzazonine
CID 89493771
9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole
CID 167043312
(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-[10-(2-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 58050596
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
(2Z,4Z)-1-(3,5-diphenylphenyl)-6-methylidene-7-triphenylen-2-yl-1-benzazocine
CID 118228168
N-methyl-2-methylidene-7-[(2Z,4Z)-6-methylidene-1-phenyl-1-benzazocin-8-yl]-1-phenyl-N-(2-phenylphenyl)-4,5-dihydro-3H-1-benzazepin-5-amine
CID 156642968
3-[(3Z,5Z)-1-(4-dibenzofuran-4-ylphenyl)-7-methylidene-2H-1-benzazonin-9-yl]-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 121419598
9-[2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]phenyl]-2,7-diphenylcarbazole
CID 163423190
3-(8-dibenzofuran-2-yldibenzofuran-2-yl)-6,9-diphenylcarbazole
CID 71278016
9-(4-dibenzofuran-2-ylphenyl)-10-phenyl-[1]benzofuro[3,2-b]indole
CID 164827733

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran?
The IUPAC name of (2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran (CID 144827351) is (2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran.
What is the SMILES notation for (2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran?
The canonical SMILES for (2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran is C=C1/C=C\C=C/N(c2ccccc2)c2ccc(-c3ccccc3)cc21.C=C1/C=C\C=C/Oc2c1cccc2-c1ccccc1.c1ccc(-c2ccc3oc4ccccc4c3c2)cc1.
What is the InChIKey of (2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran?
The InChIKey is RXMPCQJAJNNBBM-VNAKWQMLSA-N. The full InChI is InChI=1S/C24H19N.C18H12O.C18H14O/c1-19-10-8-9-17-25(22-13-6-3-7-14-22)24-16-15-21(18-23(19)24)20-11-4-2-5-12-20;1-2-6-13(7-3-1)14-10-11-18-16(12-14)15-8-4-5-9-17(15)19-18;1-14-8-5-6-13-19-18-16(14)11-7-12-17(18)15-9-3-2-4-10-15/h2-18H,1H2;1-12H;2-13H,1H2/b10-8-,17-9-;;8-5-,13-6-.
What are the key properties of (2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran?
(2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran has a molecular weight of 812.03 g/mol, XLogP of 16.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran is sourced from PubChem (CID 144827351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).