(2Z,4Z)-6-methylidene-8-(2-methylidene-1-phenyl-5H-1-benzazepin-7-yl)-1-phenyl-1-benzazocine

C35H28N2 — CID 168933169

IUPAC(2Z,4Z)-6-methylidene-8-(2-methylidene-1-phenyl-5H-1-benzazepin-7-yl)-1-phenyl-1-benzazocine
SMILESC=C1/C=C\C=C/N(c2ccccc2)c2ccc(-c3ccc4c(c3)CC=CC(=C)N4c3ccccc3)cc21
InChIInChI=1S/C35H28N2/c1-26-12-9-10-23-36(31-15-5-3-6-16-31)35-22-20-29(25-33(26)35)28-19-21-34-30(24-28)14-11-13-27(2)37(34)32-17-7-4-8-18-32/h3-13,15-25H,1-2,14H2/b12-9-,23-10-
InChIKeyUXKRLSRVNZQZLK-UZFNTRORSA-N
MW476.62 g/mol
LogP9.35
Rot. Bonds3

About (2Z,4Z)-6-methylidene-8-(2-methylidene-1-phenyl-5H-1-benzazepin-7-yl)-1-phenyl-1-benzazocine

(2Z,4Z)-6-methylidene-8-(2-methylidene-1-phenyl-5H-1-benzazepin-7-yl)-1-phenyl-1-benzazocine (PubChem CID 168933169) has the molecular formula C35H28N2 and a molecular weight of 476.62 g/mol. Its IUPAC name is (2Z,4Z)-6-methylidene-8-(2-methylidene-1-phenyl-5H-1-benzazepin-7-yl)-1-phenyl-1-benzazocine.

Molecular Properties

Compound Name(2Z,4Z)-6-methylidene-8-(2-methylidene-1-phenyl-5H-1-benzazepin-7-yl)-1-phenyl-1-benzazocine
PubChem CID168933169
Molecular FormulaC35H28N2
Molecular Weight476.62 g/mol
Exact Mass476.23
IUPAC Name(2Z,4Z)-6-methylidene-8-(2-methylidene-1-phenyl-5H-1-benzazepin-7-yl)-1-phenyl-1-benzazocine
SMILESC=C1/C=C\C=C/N(c2ccccc2)c2ccc(-c3ccc4c(c3)CC=CC(=C)N4c3ccccc3)cc21
InChIInChI=1S/C35H28N2/c1-26-12-9-10-23-36(31-15-5-3-6-16-31)35-22-20-29(25-33(26)35)28-19-21-34-30(24-28)14-11-13-27(2)37(34)32-17-7-4-8-18-32/h3-13,15-25H,1-2,14H2/b12-9-,23-10-
InChIKeyUXKRLSRVNZQZLK-UZFNTRORSA-N
XLogP9.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2Z,4Z)-6-methylidene-1-phenyl-1-benzazocin-8-yl]-9-phenylcarbazole
CID 156643406
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
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
(2Z,4Z)-6-methylidene-1,8-diphenyl-1-benzazocine;(2Z,4Z)-6-methylidene-10-phenyl-1-benzoxocine;2-phenyldibenzofuran
CID 144827351
9-dibenzothiophen-1-yl-3-[(2Z,4Z)-6-methylidene-1-(3-phenylphenyl)-1-benzazocin-8-yl]carbazole
CID 167043312
9-(4-dibenzothiophen-2-ylphenyl)-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole
CID 144578956
N-[4-[4-(N-[(3Z,5Z)-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]-4-phenylanilino)phenyl]phenyl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 170132462
9-[3-[3-[(3Z,5Z)-2-methylidene-7H-1-benzazonin-1-yl]phenyl]phenyl]carbazole
CID 166865007
3-[(2Z,4Z)-1-(9,9-dimethylfluoren-1-yl)-6-methylidene-1-benzazocin-8-yl]-9-phenylcarbazole;ethane
CID 145299461
9-[(3Z,5E)-5-carbazol-9-yl-2-methylidene-1-phenyl-7H-1-benzazonin-9-yl]carbazole
CID 89152469
(2Z,4Z)-8-[1-(cyclobuten-1-yl)-2-methyl-1-benzazepin-7-yl]-6-methylidene-1-(4-phenylcyclohexa-1,3-dien-1-yl)-1-benzazocine;ethane
CID 145055615
9-[4-(6,7-dihydrodibenzothiophen-2-yl)-3-methylphenyl]-2-[(2Z,4Z)-6-methylidene-1-(4-phenylphenyl)-1-benzazocin-8-yl]carbazole;ethane
CID 144579259

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6-methylidene-8-(2-methylidene-1-phenyl-5H-1-benzazepin-7-yl)-1-phenyl-1-benzazocine?
The IUPAC name of (2Z,4Z)-6-methylidene-8-(2-methylidene-1-phenyl-5H-1-benzazepin-7-yl)-1-phenyl-1-benzazocine (CID 168933169) is (2Z,4Z)-6-methylidene-8-(2-methylidene-1-phenyl-5H-1-benzazepin-7-yl)-1-phenyl-1-benzazocine.
What is the SMILES notation for (2Z,4Z)-6-methylidene-8-(2-methylidene-1-phenyl-5H-1-benzazepin-7-yl)-1-phenyl-1-benzazocine?
The canonical SMILES for (2Z,4Z)-6-methylidene-8-(2-methylidene-1-phenyl-5H-1-benzazepin-7-yl)-1-phenyl-1-benzazocine is C=C1/C=C\C=C/N(c2ccccc2)c2ccc(-c3ccc4c(c3)CC=CC(=C)N4c3ccccc3)cc21.
What is the InChIKey of (2Z,4Z)-6-methylidene-8-(2-methylidene-1-phenyl-5H-1-benzazepin-7-yl)-1-phenyl-1-benzazocine?
The InChIKey is UXKRLSRVNZQZLK-UZFNTRORSA-N. The full InChI is InChI=1S/C35H28N2/c1-26-12-9-10-23-36(31-15-5-3-6-16-31)35-22-20-29(25-33(26)35)28-19-21-34-30(24-28)14-11-13-27(2)37(34)32-17-7-4-8-18-32/h3-13,15-25H,1-2,14H2/b12-9-,23-10-.
What are the key properties of (2Z,4Z)-6-methylidene-8-(2-methylidene-1-phenyl-5H-1-benzazepin-7-yl)-1-phenyl-1-benzazocine?
(2Z,4Z)-6-methylidene-8-(2-methylidene-1-phenyl-5H-1-benzazepin-7-yl)-1-phenyl-1-benzazocine has a molecular weight of 476.62 g/mol, XLogP of 9.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6-methylidene-8-(2-methylidene-1-phenyl-5H-1-benzazepin-7-yl)-1-phenyl-1-benzazocine is sourced from PubChem (CID 168933169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).